NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
369523 |
1bbx   |
5910 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bbx
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 645
_Distance_constraint_stats_list.Viol_count 70
_Distance_constraint_stats_list.Viol_total 9.882
_Distance_constraint_stats_list.Viol_max 2.954
_Distance_constraint_stats_list.Viol_rms 0.1282
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0153
_Distance_constraint_stats_list.Viol_average_violations_only 0.1412
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
3 1 ALA 0.125 0.073 1 0 "[ ]"
3 2 THR 1.136 0.558 1 1 [+]
3 3 VAL 0.907 0.558 1 1 [+]
3 4 LYS 0.134 0.072 1 0 "[ ]"
3 5 PHE 0.216 0.072 1 0 "[ ]"
3 6 LYS 0.054 0.050 1 0 "[ ]"
3 7 TYR 0.013 0.009 1 0 "[ ]"
3 8 LYS 0.169 0.169 1 0 "[ ]"
3 9 GLY 0.000 0.000 . 0 "[ ]"
3 10 GLU 0.009 0.009 1 0 "[ ]"
3 11 GLU 0.000 0.000 . 0 "[ ]"
3 12 LYS 0.148 0.148 1 0 "[ ]"
3 13 GLN 0.020 0.013 1 0 "[ ]"
3 14 VAL 0.240 0.126 1 0 "[ ]"
3 15 ASP 0.527 0.401 1 0 "[ ]"
3 16 ILE 0.849 0.597 1 1 [+]
3 17 SER 0.074 0.074 1 0 "[ ]"
3 18 LYS 0.000 0.000 . 0 "[ ]"
3 19 ILE 0.086 0.044 1 0 "[ ]"
3 20 LYS 0.038 0.038 1 0 "[ ]"
3 21 LYS 0.076 0.038 1 0 "[ ]"
3 22 VAL 0.185 0.062 1 0 "[ ]"
3 23 TRP 0.222 0.126 1 0 "[ ]"
3 24 ARG 0.234 0.193 1 0 "[ ]"
3 25 VAL 0.565 0.565 1 1 [+]
3 26 GLY 0.000 0.000 . 0 "[ ]"
3 27 LYS 3.084 2.954 1 1 [+]
3 28 MET 1.321 0.570 1 1 [+]
3 29 ILE 0.776 0.570 1 1 [+]
3 30 SER 0.063 0.056 1 0 "[ ]"
3 31 PHE 0.426 0.331 1 0 "[ ]"
3 32 THR 0.038 0.038 1 0 "[ ]"
3 33 TYR 0.044 0.044 1 0 "[ ]"
3 34 ASP 0.011 0.011 1 0 "[ ]"
3 35 GLU 0.000 0.000 . 0 "[ ]"
3 36 GLY 0.000 0.000 . 0 "[ ]"
3 37 GLY 0.000 0.000 . 0 "[ ]"
3 38 GLY 0.000 0.000 . 0 "[ ]"
3 39 LYS 0.023 0.023 1 0 "[ ]"
3 40 THR 0.000 0.000 . 0 "[ ]"
3 41 GLY 0.023 0.023 1 0 "[ ]"
3 42 ARG 0.169 0.137 1 0 "[ ]"
3 43 GLY 0.137 0.137 1 0 "[ ]"
3 44 ALA 0.331 0.331 1 0 "[ ]"
3 45 VAL 0.177 0.177 1 0 "[ ]"
3 46 SER 0.228 0.130 1 0 "[ ]"
3 47 GLU 3.115 2.954 1 1 [+]
3 48 LYS 0.000 0.000 . 0 "[ ]"
3 49 ASP 0.150 0.107 1 0 "[ ]"
3 50 ALA 0.000 0.000 . 0 "[ ]"
3 51 PRO 0.000 0.000 . 0 "[ ]"
3 52 LYS 0.000 0.000 . 0 "[ ]"
3 53 GLU 0.000 0.000 . 0 "[ ]"
3 54 LEU 0.201 0.169 1 0 "[ ]"
3 55 LEU 0.032 0.032 1 0 "[ ]"
3 56 GLN 0.046 0.030 1 0 "[ ]"
3 57 MET 0.191 0.072 1 0 "[ ]"
3 58 LEU 0.356 0.142 1 0 "[ ]"
3 59 GLU 0.029 0.029 1 0 "[ ]"
3 60 LYS 0.046 0.025 1 0 "[ ]"
3 61 GLN 0.273 0.162 1 0 "[ ]"
3 62 LYS 0.129 0.073 1 0 "[ ]"
3 63 LYS 0.187 0.162 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 3 1 ALA HA 3 2 THR H 2.900 . 4.000 3.171 3.171 3.171 . 0 0 "[ ]" 1
2 3 1 ALA MB 3 2 THR MG 3.400 . 5.600 5.321 5.321 5.321 . 0 0 "[ ]" 1
3 3 1 ALA HA 3 3 VAL MG1 3.400 . 5.300 5.373 5.373 5.373 0.073 1 0 "[ ]" 1
4 3 1 ALA MB 3 16 ILE MG 3.400 . 5.600 5.205 5.205 5.205 . 0 0 "[ ]" 1
5 3 1 ALA MB 3 16 ILE MD 2.900 . 4.600 4.653 4.653 4.653 0.053 1 0 "[ ]" 1
6 3 1 ALA MB 3 2 THR H 3.400 . 5.300 3.458 3.458 3.458 . 0 0 "[ ]" 1
7 3 1 ALA MB 3 51 PRO QB 3.400 . 7.000 5.750 5.750 5.750 . 0 0 "[ ]" 1
8 3 1 ALA MB 3 53 GLU HG2 3.400 . 6.000 5.882 5.882 5.882 . 0 0 "[ ]" 1
9 3 1 ALA MB 3 53 GLU QB 3.400 . 6.000 5.940 5.940 5.940 . 0 0 "[ ]" 1
10 3 2 THR H 3 2 THR HA 2.900 . 4.000 2.924 2.924 2.924 . 0 0 "[ ]" 1
11 3 2 THR H 3 2 THR HB 3.400 . 5.000 2.214 2.214 2.214 . 0 0 "[ ]" 1
12 3 2 THR HA 3 2 THR HB 2.300 . 2.800 2.945 2.945 2.945 0.145 1 0 "[ ]" 1
13 3 2 THR HA 3 2 THR MG 3.400 . 5.300 2.655 2.655 2.655 . 0 0 "[ ]" 1
14 3 2 THR H 3 2 THR MG 3.400 . 5.300 3.589 3.589 3.589 . 0 0 "[ ]" 1
15 3 2 THR HA 3 3 VAL H 2.300 . 2.800 3.358 3.358 3.358 0.558 1 1 [+] 1
16 3 2 THR HB 3 3 VAL H 2.900 . 4.000 2.778 2.778 2.778 . 0 0 "[ ]" 1
17 3 2 THR MG 3 3 VAL HA 3.400 . 7.300 3.687 3.687 3.687 . 0 0 "[ ]" 1
18 3 2 THR MG 3 3 VAL HB 3.400 . 6.300 2.367 2.367 2.367 . 0 0 "[ ]" 1
19 3 2 THR HA 3 15 ASP HA 2.300 . 2.800 3.201 3.201 3.201 0.401 1 0 "[ ]" 1
20 3 2 THR MG 3 16 ILE HA 3.400 . 5.300 2.625 2.625 2.625 . 0 0 "[ ]" 1
21 3 2 THR MG 3 16 ILE HB 3.400 . 5.300 3.675 3.675 3.675 . 0 0 "[ ]" 1
22 3 2 THR MG 3 16 ILE MG 3.400 . 5.600 1.768 1.768 1.768 0.032 1 0 "[ ]" 1
23 3 2 THR HB 3 14 VAL H 3.400 . 5.000 4.460 4.460 4.460 . 0 0 "[ ]" 1
24 3 2 THR HA 3 15 ASP QB 2.900 . 5.000 4.460 4.460 4.460 . 0 0 "[ ]" 1
25 3 2 THR H 3 3 VAL HA 2.300 . 5.300 4.819 4.819 4.819 . 0 0 "[ ]" 1
26 3 2 THR HB 3 16 ILE HB 3.400 . 6.000 5.213 5.213 5.213 . 0 0 "[ ]" 1
27 3 2 THR MG 3 16 ILE H 3.400 . 6.000 3.116 3.116 3.116 . 0 0 "[ ]" 1
28 3 2 THR HB 3 13 GLN QG 3.400 . 6.000 5.006 5.006 5.006 . 0 0 "[ ]" 1
29 3 2 THR MG 3 13 GLN QG 3.400 . 7.000 5.288 5.288 5.288 . 0 0 "[ ]" 1
30 3 2 THR H 3 3 VAL H 2.900 . 4.000 2.017 2.017 2.017 . 0 0 "[ ]" 1
31 3 2 THR HA 3 3 VAL MG1 3.400 . 5.300 4.469 4.469 4.469 . 0 0 "[ ]" 1
32 3 2 THR HA 3 3 VAL MG2 3.400 . 6.300 5.846 5.846 5.846 . 0 0 "[ ]" 1
33 3 2 THR MG 3 3 VAL H 3.400 . 5.300 3.048 3.048 3.048 . 0 0 "[ ]" 1
34 3 2 THR HB 3 15 ASP HA 2.300 . 2.800 1.827 1.827 1.827 . 0 0 "[ ]" 1
35 3 2 THR MG 3 15 ASP HA 2.900 . 4.300 3.480 3.480 3.480 . 0 0 "[ ]" 1
36 3 3 VAL H 3 3 VAL HB 2.900 . 4.000 3.279 3.279 3.279 . 0 0 "[ ]" 1
37 3 3 VAL HA 3 3 VAL HB 2.300 . 2.800 2.437 2.437 2.437 . 0 0 "[ ]" 1
38 3 3 VAL H 3 3 VAL HA 2.900 . 4.000 2.979 2.979 2.979 . 0 0 "[ ]" 1
39 3 3 VAL H 3 3 VAL MG1 3.400 . 5.300 1.852 1.852 1.852 . 0 0 "[ ]" 1
40 3 3 VAL H 3 3 VAL MG2 3.400 . 5.300 3.873 3.873 3.873 . 0 0 "[ ]" 1
41 3 3 VAL HB 3 3 VAL MG1 2.300 . 3.100 2.127 2.127 2.127 . 0 0 "[ ]" 1
42 3 3 VAL HA 3 3 VAL MG1 2.900 . 4.300 3.174 3.174 3.174 . 0 0 "[ ]" 1
43 3 3 VAL HA 3 3 VAL MG2 2.900 . 4.300 2.342 2.342 2.342 . 0 0 "[ ]" 1
44 3 3 VAL HA 3 4 LYS H 2.900 . 4.000 2.392 2.392 2.392 . 0 0 "[ ]" 1
45 3 3 VAL HB 3 4 LYS H 2.900 . 4.000 3.905 3.905 3.905 . 0 0 "[ ]" 1
46 3 3 VAL HB 3 14 VAL H 2.900 . 5.000 5.043 5.043 5.043 0.043 1 0 "[ ]" 1
47 3 3 VAL HB 3 14 VAL QG 3.400 . 7.400 4.206 4.206 4.206 . 0 0 "[ ]" 1
48 3 3 VAL MG2 3 14 VAL HB 3.400 . 6.300 6.340 6.340 6.340 0.040 1 0 "[ ]" 1
49 3 3 VAL MG1 3 14 VAL MG2 3.400 . 6.100 3.486 3.486 3.486 . 0 0 "[ ]" 1
50 3 3 VAL MG1 3 19 ILE MD 3.400 . 5.600 1.783 1.783 1.783 0.017 1 0 "[ ]" 1
51 3 3 VAL MG2 3 19 ILE MD 3.400 . 5.600 3.832 3.832 3.832 . 0 0 "[ ]" 1
52 3 3 VAL MG2 3 22 VAL QG 3.400 . 7.700 5.071 5.071 5.071 . 0 0 "[ ]" 1
53 3 3 VAL QG 3 22 VAL HB 3.400 . 7.400 5.795 5.795 5.795 . 0 0 "[ ]" 1
54 3 3 VAL H 3 14 VAL H 2.300 . 2.800 2.725 2.725 2.725 . 0 0 "[ ]" 1
55 3 3 VAL H 3 15 ASP HA 2.300 . 4.800 3.584 3.584 3.584 . 0 0 "[ ]" 1
56 3 3 VAL QG 3 55 LEU QB 3.400 . 9.000 7.385 7.385 7.385 . 0 0 "[ ]" 1
57 3 3 VAL H 3 16 ILE HA 3.400 . 6.000 6.136 6.136 6.136 0.136 1 0 "[ ]" 1
58 3 3 VAL H 3 16 ILE H 3.400 . 6.000 5.500 5.500 5.500 . 0 0 "[ ]" 1
59 3 3 VAL QG 3 31 PHE QE 3.400 . 8.000 1.760 1.760 1.760 0.040 1 0 "[ ]" 1
60 3 3 VAL QG 3 31 PHE QD 2.900 . 8.400 2.630 2.630 2.630 . 0 0 "[ ]" 1
61 3 3 VAL QG 3 45 VAL HB 3.400 . 7.000 1.866 1.866 1.866 . 0 0 "[ ]" 1
62 3 3 VAL QG 3 45 VAL QG 3.400 . 6.000 1.829 1.829 1.829 . 0 0 "[ ]" 1
63 3 3 VAL HB 3 50 ALA MB 3.400 . 7.000 2.914 2.914 2.914 . 0 0 "[ ]" 1
64 3 3 VAL QG 3 51 PRO QB 3.400 . 6.000 5.998 5.998 5.998 . 0 0 "[ ]" 1
65 3 3 VAL MG1 3 4 LYS H 3.400 . 5.300 3.640 3.640 3.640 . 0 0 "[ ]" 1
66 3 3 VAL MG2 3 4 LYS H 3.400 . 5.300 1.829 1.829 1.829 . 0 0 "[ ]" 1
67 3 3 VAL MG1 3 14 VAL H 3.400 . 5.300 2.451 2.451 2.451 . 0 0 "[ ]" 1
68 3 3 VAL MG2 3 14 VAL H 3.400 . 5.300 4.310 4.310 4.310 . 0 0 "[ ]" 1
69 3 4 LYS H 3 4 LYS HB3 2.900 . 4.000 3.888 3.888 3.888 . 0 0 "[ ]" 1
70 3 4 LYS H 3 4 LYS HB2 2.900 . 4.000 3.263 3.263 3.263 . 0 0 "[ ]" 1
71 3 4 LYS HA 3 4 LYS HB3 2.900 . 4.000 2.270 2.270 2.270 . 0 0 "[ ]" 1
72 3 4 LYS HA 3 4 LYS HB2 2.900 . 4.000 2.927 2.927 2.927 . 0 0 "[ ]" 1
73 3 4 LYS HA 3 4 LYS QG 3.400 . 6.000 2.896 2.896 2.896 . 0 0 "[ ]" 1
74 3 4 LYS H 3 4 LYS QG 2.300 . 3.800 2.373 2.373 2.373 . 0 0 "[ ]" 1
75 3 4 LYS HB3 3 4 LYS QG 2.300 . 3.800 2.447 2.447 2.447 . 0 0 "[ ]" 1
76 3 4 LYS HB2 3 4 LYS QG 2.300 . 3.800 2.295 2.295 2.295 . 0 0 "[ ]" 1
77 3 4 LYS HA 3 5 PHE H 2.900 . 4.000 2.479 2.479 2.479 . 0 0 "[ ]" 1
78 3 4 LYS HB3 3 5 PHE H 2.300 . 2.800 2.862 2.862 2.862 0.062 1 0 "[ ]" 1
79 3 4 LYS HB2 3 5 PHE H 2.300 . 2.800 2.872 2.872 2.872 0.072 1 0 "[ ]" 1
80 3 4 LYS HA 3 13 GLN HA 2.900 . 4.000 2.091 2.091 2.091 . 0 0 "[ ]" 1
81 3 4 LYS HA 3 13 GLN QG 3.400 . 6.000 2.904 2.904 2.904 . 0 0 "[ ]" 1
82 3 4 LYS QG 3 13 GLN QG 2.300 . 4.800 1.849 1.849 1.849 . 0 0 "[ ]" 1
83 3 4 LYS H 3 13 GLN QG 3.400 . 6.000 4.046 4.046 4.046 . 0 0 "[ ]" 1
84 3 4 LYS QG 3 45 VAL QG 3.400 . 7.000 5.170 5.170 5.170 . 0 0 "[ ]" 1
85 3 4 LYS HA 3 5 PHE QD 2.900 . 6.000 2.776 2.776 2.776 . 0 0 "[ ]" 1
86 3 4 LYS HA 3 14 VAL H 2.900 . 4.000 3.793 3.793 3.793 . 0 0 "[ ]" 1
87 3 5 PHE H 3 5 PHE HA 2.900 . 4.000 2.861 2.861 2.861 . 0 0 "[ ]" 1
88 3 5 PHE HA 3 5 PHE HB3 2.300 . 2.800 2.583 2.583 2.583 . 0 0 "[ ]" 1
89 3 5 PHE HA 3 5 PHE HB2 2.900 . 4.000 2.386 2.386 2.386 . 0 0 "[ ]" 1
90 3 5 PHE HB3 3 5 PHE QD 2.900 . 6.000 2.510 2.510 2.510 . 0 0 "[ ]" 1
91 3 5 PHE HB2 3 5 PHE QD 2.900 . 6.000 2.337 2.337 2.337 . 0 0 "[ ]" 1
92 3 5 PHE H 3 5 PHE QD 2.300 . 4.800 2.733 2.733 2.733 . 0 0 "[ ]" 1
93 3 5 PHE HA 3 5 PHE QD 2.900 . 6.000 3.701 3.701 3.701 . 0 0 "[ ]" 1
94 3 5 PHE HA 3 6 LYS H 2.300 . 2.800 2.850 2.850 2.850 0.050 1 0 "[ ]" 1
95 3 5 PHE HB3 3 6 LYS H 2.900 . 4.000 3.525 3.525 3.525 . 0 0 "[ ]" 1
96 3 5 PHE HB2 3 6 LYS H 2.900 . 4.000 2.072 2.072 2.072 . 0 0 "[ ]" 1
97 3 5 PHE H 3 13 GLN QG 2.300 . 4.800 4.813 4.813 4.813 0.013 1 0 "[ ]" 1
98 3 5 PHE HA 3 45 VAL QG 3.400 . 7.400 4.606 4.606 4.606 . 0 0 "[ ]" 1
99 3 5 PHE HB3 3 45 VAL MG1 2.900 . 4.300 2.459 2.459 2.459 . 0 0 "[ ]" 1
100 3 5 PHE HB2 3 45 VAL MG1 2.900 . 4.300 3.579 3.579 3.579 . 0 0 "[ ]" 1
101 3 5 PHE HA 3 49 ASP HA 3.400 . 5.000 5.012 5.012 5.012 0.012 1 0 "[ ]" 1
102 3 5 PHE HA 3 6 LYS QB 3.400 . 6.000 3.777 3.777 3.777 . 0 0 "[ ]" 1
103 3 5 PHE H 3 12 LYS H 2.900 . 4.000 2.779 2.779 2.779 . 0 0 "[ ]" 1
104 3 5 PHE QE 3 14 VAL HB 3.400 . 6.000 5.320 5.320 5.320 . 0 0 "[ ]" 1
105 3 5 PHE QD 3 7 TYR HA 3.400 . 6.000 4.107 4.107 4.107 . 0 0 "[ ]" 1
106 3 5 PHE QD 3 7 TYR QB 3.400 . 6.000 3.138 3.138 3.138 . 0 0 "[ ]" 1
107 3 5 PHE QE 3 7 TYR QE 3.400 . 6.000 5.739 5.739 5.739 . 0 0 "[ ]" 1
108 3 5 PHE QD 3 45 VAL QG 3.400 . 7.000 3.292 3.292 3.292 . 0 0 "[ ]" 1
109 3 5 PHE QD 3 7 TYR QD 2.300 . 6.800 4.853 4.853 4.853 . 0 0 "[ ]" 1
110 3 5 PHE QD 3 7 TYR QE 2.900 . 8.000 6.942 6.942 6.942 . 0 0 "[ ]" 1
111 3 5 PHE QD 3 31 PHE HZ 2.900 . 6.000 2.927 2.927 2.927 . 0 0 "[ ]" 1
112 3 5 PHE QD 3 31 PHE QE 2.900 . 8.000 3.206 3.206 3.206 . 0 0 "[ ]" 1
113 3 5 PHE QE 3 33 TYR QE 2.300 . 6.800 2.284 2.284 2.284 . 0 0 "[ ]" 1
114 3 5 PHE H 3 13 GLN HA 2.900 . 4.000 4.007 4.007 4.007 0.007 1 0 "[ ]" 1
115 3 5 PHE QD 3 13 GLN HA 2.900 . 6.000 3.559 3.559 3.559 . 0 0 "[ ]" 1
116 3 6 LYS H 3 6 LYS HA 2.900 . 4.000 2.937 2.937 2.937 . 0 0 "[ ]" 1
117 3 6 LYS H 3 6 LYS QB 2.300 . 3.800 2.756 2.756 2.756 . 0 0 "[ ]" 1
118 3 6 LYS HA 3 6 LYS QB 2.300 . 3.800 2.400 2.400 2.400 . 0 0 "[ ]" 1
119 3 6 LYS HA 3 6 LYS QG 3.400 . 6.000 2.351 2.351 2.351 . 0 0 "[ ]" 1
120 3 6 LYS QB 3 6 LYS QG 2.300 . 4.800 2.108 2.108 2.108 . 0 0 "[ ]" 1
121 3 6 LYS HA 3 7 TYR H 2.900 . 4.000 2.225 2.225 2.225 . 0 0 "[ ]" 1
122 3 6 LYS QB 3 7 TYR H 2.300 . 3.800 3.804 3.804 3.804 0.004 1 0 "[ ]" 1
123 3 6 LYS HA 3 11 GLU HA 3.400 . 5.000 2.507 2.507 2.507 . 0 0 "[ ]" 1
124 3 6 LYS HA 3 12 LYS H 3.400 . 5.000 3.483 3.483 3.483 . 0 0 "[ ]" 1
125 3 7 TYR HA 3 7 TYR HB3 2.900 . 4.000 3.028 3.028 3.028 . 0 0 "[ ]" 1
126 3 7 TYR HA 3 7 TYR HB2 2.900 . 4.000 2.396 2.396 2.396 . 0 0 "[ ]" 1
127 3 7 TYR HA 3 7 TYR QD 2.900 . 6.000 2.965 2.965 2.965 . 0 0 "[ ]" 1
128 3 7 TYR H 3 7 TYR HB3 2.900 . 4.000 2.479 2.479 2.479 . 0 0 "[ ]" 1
129 3 7 TYR H 3 7 TYR HB2 2.900 . 4.000 3.226 3.226 3.226 . 0 0 "[ ]" 1
130 3 7 TYR HA 3 8 LYS HA 3.400 . 5.000 4.534 4.534 4.534 . 0 0 "[ ]" 1
131 3 7 TYR HA 3 8 LYS H 2.900 . 4.000 2.244 2.244 2.244 . 0 0 "[ ]" 1
132 3 7 TYR H 3 10 GLU H 2.300 . 2.800 2.809 2.809 2.809 0.009 1 0 "[ ]" 1
133 3 7 TYR H 3 8 LYS H 3.400 . 5.000 4.413 4.413 4.413 . 0 0 "[ ]" 1
134 3 7 TYR QD 3 8 LYS H 3.400 . 7.000 3.490 3.490 3.490 . 0 0 "[ ]" 1
135 3 7 TYR H 3 9 GLY H 2.900 . 4.000 3.602 3.602 3.602 . 0 0 "[ ]" 1
136 3 8 LYS HA 3 8 LYS HB3 2.300 . 2.800 2.969 2.969 2.969 0.169 1 0 "[ ]" 1
137 3 8 LYS HA 3 8 LYS HB2 2.900 . 4.000 2.661 2.661 2.661 . 0 0 "[ ]" 1
138 3 8 LYS HA 3 8 LYS QG 2.900 . 5.000 2.237 2.237 2.237 . 0 0 "[ ]" 1
139 3 8 LYS HA 3 8 LYS QD 2.900 . 5.000 3.951 3.951 3.951 . 0 0 "[ ]" 1
140 3 8 LYS H 3 8 LYS HA 2.300 . 2.800 2.369 2.369 2.369 . 0 0 "[ ]" 1
141 3 8 LYS H 3 8 LYS HB3 3.400 . 5.000 3.799 3.799 3.799 . 0 0 "[ ]" 1
142 3 8 LYS H 3 8 LYS HB2 3.400 . 5.000 3.051 3.051 3.051 . 0 0 "[ ]" 1
143 3 8 LYS HA 3 9 GLY H 2.900 . 4.000 3.584 3.584 3.584 . 0 0 "[ ]" 1
144 3 8 LYS QD 3 9 GLY QA 2.900 . 6.000 4.766 4.766 4.766 . 0 0 "[ ]" 1
145 3 8 LYS H 3 9 GLY H 2.900 . 4.000 3.669 3.669 3.669 . 0 0 "[ ]" 1
146 3 9 GLY H 3 9 GLY QA 2.300 . 3.800 2.530 2.530 2.530 . 0 0 "[ ]" 1
147 3 9 GLY QA 3 10 GLU H 2.900 . 5.000 2.789 2.789 2.789 . 0 0 "[ ]" 1
148 3 9 GLY H 3 10 GLU H 2.300 . 2.800 1.867 1.867 1.867 . 0 0 "[ ]" 1
149 3 10 GLU H 3 10 GLU HA 2.900 . 4.000 2.984 2.984 2.984 . 0 0 "[ ]" 1
150 3 10 GLU H 3 10 GLU QB 2.300 . 3.800 2.619 2.619 2.619 . 0 0 "[ ]" 1
151 3 10 GLU HA 3 10 GLU QB 2.300 . 3.800 2.466 2.466 2.466 . 0 0 "[ ]" 1
152 3 10 GLU QB 3 10 GLU QG 2.300 . 4.800 2.051 2.051 2.051 . 0 0 "[ ]" 1
153 3 10 GLU HA 3 11 GLU H 2.300 . 2.800 2.230 2.230 2.230 . 0 0 "[ ]" 1
154 3 10 GLU QB 3 11 GLU H 2.300 . 3.800 3.701 3.701 3.701 . 0 0 "[ ]" 1
155 3 11 GLU H 3 11 GLU QB 2.300 . 3.800 2.034 2.034 2.034 . 0 0 "[ ]" 1
156 3 11 GLU H 3 11 GLU QG 2.300 . 3.800 2.955 2.955 2.955 . 0 0 "[ ]" 1
157 3 11 GLU HA 3 11 GLU QB 2.300 . 3.800 2.504 2.504 2.504 . 0 0 "[ ]" 1
158 3 11 GLU HA 3 11 GLU QG 2.300 . 3.800 1.998 1.998 1.998 . 0 0 "[ ]" 1
159 3 11 GLU H 3 11 GLU HA 2.900 . 4.000 2.926 2.926 2.926 . 0 0 "[ ]" 1
160 3 11 GLU QB 3 12 LYS H 2.300 . 3.800 3.008 3.008 3.008 . 0 0 "[ ]" 1
161 3 11 GLU QG 3 12 LYS H 2.300 . 3.800 3.704 3.704 3.704 . 0 0 "[ ]" 1
162 3 11 GLU HA 3 12 LYS H 2.300 . 2.800 2.302 2.302 2.302 . 0 0 "[ ]" 1
163 3 12 LYS H 3 12 LYS HA 2.300 . 2.800 2.948 2.948 2.948 0.148 1 0 "[ ]" 1
164 3 12 LYS HA 3 13 GLN H 2.900 . 4.000 2.309 2.309 2.309 . 0 0 "[ ]" 1
165 3 12 LYS QB 3 13 GLN H 3.400 . 6.000 2.918 2.918 2.918 . 0 0 "[ ]" 1
166 3 12 LYS QG 3 13 GLN H 3.400 . 6.000 4.350 4.350 4.350 . 0 0 "[ ]" 1
167 3 13 GLN H 3 13 GLN QG 2.900 . 5.000 4.122 4.122 4.122 . 0 0 "[ ]" 1
168 3 13 GLN HA 3 13 GLN QG 2.900 . 5.000 2.441 2.441 2.441 . 0 0 "[ ]" 1
169 3 13 GLN H 3 13 GLN QB 2.900 . 5.000 2.629 2.629 2.629 . 0 0 "[ ]" 1
170 3 13 GLN HA 3 14 VAL H 3.400 . 5.000 2.295 2.295 2.295 . 0 0 "[ ]" 1
171 3 13 GLN QG 3 45 VAL QG 3.400 . 9.400 5.797 5.797 5.797 . 0 0 "[ ]" 1
172 3 14 VAL H 3 14 VAL HB 2.300 . 3.800 3.434 3.434 3.434 . 0 0 "[ ]" 1
173 3 14 VAL HA 3 14 VAL HB 2.900 . 4.000 2.362 2.362 2.362 . 0 0 "[ ]" 1
174 3 14 VAL HA 3 14 VAL MG1 2.300 . 4.100 3.158 3.158 3.158 . 0 0 "[ ]" 1
175 3 14 VAL HA 3 14 VAL MG2 2.900 . 4.300 2.470 2.470 2.470 . 0 0 "[ ]" 1
176 3 14 VAL H 3 14 VAL MG1 3.400 . 5.300 1.871 1.871 1.871 . 0 0 "[ ]" 1
177 3 14 VAL H 3 14 VAL MG2 3.400 . 5.300 3.794 3.794 3.794 . 0 0 "[ ]" 1
178 3 14 VAL HB 3 14 VAL MG2 2.300 . 3.100 2.117 2.117 2.117 . 0 0 "[ ]" 1
179 3 14 VAL HA 3 15 ASP H 2.900 . 4.000 2.268 2.268 2.268 . 0 0 "[ ]" 1
180 3 14 VAL HA 3 15 ASP QB 2.300 . 4.800 4.296 4.296 4.296 . 0 0 "[ ]" 1
181 3 14 VAL HB 3 15 ASP H 2.300 . 3.800 3.926 3.926 3.926 0.126 1 0 "[ ]" 1
182 3 14 VAL HB 3 15 ASP QB 2.300 . 6.300 6.069 6.069 6.069 . 0 0 "[ ]" 1
183 3 14 VAL MG2 3 15 ASP QB 3.400 . 6.300 3.957 3.957 3.957 . 0 0 "[ ]" 1
184 3 14 VAL MG2 3 19 ILE MD 3.400 . 5.600 2.809 2.809 2.809 . 0 0 "[ ]" 1
185 3 14 VAL MG2 3 19 ILE QG 3.400 . 6.300 1.944 1.944 1.944 . 0 0 "[ ]" 1
186 3 14 VAL HB 3 33 TYR HA 2.900 . 6.000 5.031 5.031 5.031 . 0 0 "[ ]" 1
187 3 14 VAL MG2 3 33 TYR QD 3.400 . 7.300 2.911 2.911 2.911 . 0 0 "[ ]" 1
188 3 14 VAL HB 3 34 ASP HB2 2.900 . 4.000 4.011 4.011 4.011 0.011 1 0 "[ ]" 1
189 3 14 VAL MG2 3 34 ASP HB2 3.400 . 5.300 3.530 3.530 3.530 . 0 0 "[ ]" 1
190 3 14 VAL QG 3 54 LEU QD 3.400 . 7.000 5.609 5.609 5.609 . 0 0 "[ ]" 1
191 3 14 VAL QG 3 31 PHE QD 3.400 . 9.400 3.443 3.443 3.443 . 0 0 "[ ]" 1
192 3 14 VAL QG 3 31 PHE QE 3.400 . 9.400 1.780 1.780 1.780 0.020 1 0 "[ ]" 1
193 3 14 VAL QG 3 33 TYR QE 3.400 . 9.400 3.556 3.556 3.556 . 0 0 "[ ]" 1
194 3 14 VAL MG1 3 15 ASP H 3.400 . 5.300 3.993 3.993 3.993 . 0 0 "[ ]" 1
195 3 14 VAL MG2 3 15 ASP H 3.400 . 5.300 1.999 1.999 1.999 . 0 0 "[ ]" 1
196 3 14 VAL MG2 3 18 LYS H 3.400 . 5.300 2.989 2.989 2.989 . 0 0 "[ ]" 1
197 3 15 ASP H 3 15 ASP QB 2.300 . 3.800 2.545 2.545 2.545 . 0 0 "[ ]" 1
198 3 15 ASP HA 3 15 ASP QB 2.300 . 3.800 2.209 2.209 2.209 . 0 0 "[ ]" 1
199 3 15 ASP QB 3 16 ILE H 2.300 . 3.800 2.459 2.459 2.459 . 0 0 "[ ]" 1
200 3 15 ASP QB 3 18 LYS H 2.900 . 5.000 4.828 4.828 4.828 . 0 0 "[ ]" 1
201 3 15 ASP HA 3 16 ILE H 2.300 . 2.800 2.546 2.546 2.546 . 0 0 "[ ]" 1
202 3 15 ASP QB 3 18 LYS QB 3.400 . 7.000 5.045 5.045 5.045 . 0 0 "[ ]" 1
203 3 16 ILE H 3 16 ILE HA 2.900 . 4.000 2.794 2.794 2.794 . 0 0 "[ ]" 1
204 3 16 ILE H 3 16 ILE HB 2.300 . 2.800 3.397 3.397 3.397 0.597 1 1 [+] 1
205 3 16 ILE HA 3 16 ILE HB 2.300 . 2.800 2.363 2.363 2.363 . 0 0 "[ ]" 1
206 3 16 ILE HA 3 16 ILE MG 2.900 . 4.300 2.439 2.439 2.439 . 0 0 "[ ]" 1
207 3 16 ILE HA 3 16 ILE MD 3.400 . 5.300 3.509 3.509 3.509 . 0 0 "[ ]" 1
208 3 16 ILE HB 3 16 ILE MG 2.300 . 3.100 2.106 2.106 2.106 . 0 0 "[ ]" 1
209 3 16 ILE HB 3 16 ILE MD 2.900 . 4.300 3.181 3.181 3.181 . 0 0 "[ ]" 1
210 3 16 ILE HB 3 16 ILE QG 2.300 . 3.800 2.187 2.187 2.187 . 0 0 "[ ]" 1
211 3 16 ILE QG 3 16 ILE MG 2.900 . 5.300 2.415 2.415 2.415 . 0 0 "[ ]" 1
212 3 16 ILE H 3 16 ILE MG 3.400 . 5.300 1.795 1.795 1.795 0.005 1 0 "[ ]" 1
213 3 16 ILE HA 3 19 ILE H 3.400 . 5.000 3.178 3.178 3.178 . 0 0 "[ ]" 1
214 3 16 ILE HA 3 19 ILE MD 3.400 . 5.300 1.849 1.849 1.849 . 0 0 "[ ]" 1
215 3 16 ILE HA 3 19 ILE QG 2.300 . 3.800 3.198 3.198 3.198 . 0 0 "[ ]" 1
216 3 16 ILE MG 3 19 ILE HB 2.900 . 4.300 4.323 4.323 4.323 0.023 1 0 "[ ]" 1
217 3 16 ILE MG 3 19 ILE MD 3.400 . 5.600 2.859 2.859 2.859 . 0 0 "[ ]" 1
218 3 16 ILE MD 3 19 ILE MD 3.400 . 5.600 4.172 4.172 4.172 . 0 0 "[ ]" 1
219 3 16 ILE MD 3 19 ILE QG 2.900 . 5.300 5.303 5.303 5.303 0.003 1 0 "[ ]" 1
220 3 16 ILE H 3 17 SER H 2.900 . 4.000 2.729 2.729 2.729 . 0 0 "[ ]" 1
221 3 16 ILE HB 3 17 SER H 3.400 . 6.000 4.178 4.178 4.178 . 0 0 "[ ]" 1
222 3 16 ILE HA 3 18 LYS H 2.900 . 4.000 3.371 3.371 3.371 . 0 0 "[ ]" 1
223 3 16 ILE MD 3 19 ILE H 3.400 . 5.300 5.271 5.271 5.271 . 0 0 "[ ]" 1
224 3 17 SER H 3 17 SER HA 2.300 . 2.800 2.874 2.874 2.874 0.074 1 0 "[ ]" 1
225 3 17 SER H 3 17 SER QB 2.900 . 5.000 2.035 2.035 2.035 . 0 0 "[ ]" 1
226 3 17 SER HA 3 17 SER QB 2.300 . 3.800 2.175 2.175 2.175 . 0 0 "[ ]" 1
227 3 17 SER H 3 18 LYS H 2.300 . 4.800 2.780 2.780 2.780 . 0 0 "[ ]" 1
228 3 17 SER HA 3 18 LYS H 2.900 . 4.000 3.335 3.335 3.335 . 0 0 "[ ]" 1
229 3 17 SER H 3 19 ILE MD 3.400 . 5.300 4.191 4.191 4.191 . 0 0 "[ ]" 1
230 3 18 LYS H 3 18 LYS HA 2.900 . 4.000 2.988 2.988 2.988 . 0 0 "[ ]" 1
231 3 18 LYS H 3 19 ILE H 2.300 . 2.800 1.886 1.886 1.886 . 0 0 "[ ]" 1
232 3 18 LYS QB 3 19 ILE H 3.400 . 6.000 3.461 3.461 3.461 . 0 0 "[ ]" 1
233 3 19 ILE H 3 19 ILE QG 2.300 . 3.800 2.333 2.333 2.333 . 0 0 "[ ]" 1
234 3 19 ILE HA 3 19 ILE MG 3.400 . 5.300 2.280 2.280 2.280 . 0 0 "[ ]" 1
235 3 19 ILE HA 3 19 ILE MD 2.900 . 5.300 3.886 3.886 3.886 . 0 0 "[ ]" 1
236 3 19 ILE HB 3 19 ILE MD 2.900 . 4.300 2.291 2.291 2.291 . 0 0 "[ ]" 1
237 3 19 ILE HB 3 19 ILE QG 2.300 . 3.800 2.447 2.447 2.447 . 0 0 "[ ]" 1
238 3 19 ILE MD 3 19 ILE MG 2.900 . 4.600 1.947 1.947 1.947 . 0 0 "[ ]" 1
239 3 19 ILE QG 3 19 ILE MG 2.300 . 4.100 2.238 2.238 2.238 . 0 0 "[ ]" 1
240 3 19 ILE H 3 19 ILE HB 3.400 . 6.000 2.465 2.465 2.465 . 0 0 "[ ]" 1
241 3 19 ILE H 3 19 ILE MG 3.400 . 5.300 3.781 3.781 3.781 . 0 0 "[ ]" 1
242 3 19 ILE H 3 19 ILE MD 3.400 . 5.300 3.373 3.373 3.373 . 0 0 "[ ]" 1
243 3 19 ILE HA 3 19 ILE HB 2.900 . 4.000 3.039 3.039 3.039 . 0 0 "[ ]" 1
244 3 19 ILE HA 3 19 ILE QG 2.900 . 5.000 2.487 2.487 2.487 . 0 0 "[ ]" 1
245 3 19 ILE HA 3 20 LYS H 2.900 . 4.000 2.297 2.297 2.297 . 0 0 "[ ]" 1
246 3 19 ILE HA 3 22 VAL QG 3.400 . 7.400 4.026 4.026 4.026 . 0 0 "[ ]" 1
247 3 19 ILE MG 3 22 VAL HB 3.400 . 5.300 4.261 4.261 4.261 . 0 0 "[ ]" 1
248 3 19 ILE MD 3 22 VAL QG 3.400 . 7.700 4.276 4.276 4.276 . 0 0 "[ ]" 1
249 3 19 ILE MG 3 31 PHE QB 3.400 . 6.300 2.575 2.575 2.575 . 0 0 "[ ]" 1
250 3 19 ILE HA 3 33 TYR HA 2.300 . 2.800 2.844 2.844 2.844 0.044 1 0 "[ ]" 1
251 3 19 ILE MG 3 33 TYR HA 3.400 . 5.300 4.224 4.224 4.224 . 0 0 "[ ]" 1
252 3 19 ILE MD 3 33 TYR HA 3.400 . 5.300 5.109 5.109 5.109 . 0 0 "[ ]" 1
253 3 19 ILE HB 3 22 VAL QG 2.900 . 6.400 4.375 4.375 4.375 . 0 0 "[ ]" 1
254 3 19 ILE MD 3 31 PHE QD 3.400 . 7.300 3.048 3.048 3.048 . 0 0 "[ ]" 1
255 3 19 ILE MD 3 31 PHE QE 3.400 . 7.300 2.823 2.823 2.823 . 0 0 "[ ]" 1
256 3 19 ILE MD 3 33 TYR QD 3.400 . 7.300 5.163 5.163 5.163 . 0 0 "[ ]" 1
257 3 20 LYS H 3 21 LYS H 2.300 . 2.800 2.291 2.291 2.291 . 0 0 "[ ]" 1
258 3 20 LYS HA 3 21 LYS H 2.300 . 4.800 3.597 3.597 3.597 . 0 0 "[ ]" 1
259 3 20 LYS HA 3 22 VAL H 2.300 . 5.300 5.338 5.338 5.338 0.038 1 0 "[ ]" 1
260 3 21 LYS QB 3 21 LYS QE 2.900 . 6.000 3.050 3.050 3.050 . 0 0 "[ ]" 1
261 3 21 LYS H 3 21 LYS QD 3.400 . 6.000 4.188 4.188 4.188 . 0 0 "[ ]" 1
262 3 21 LYS H 3 21 LYS QG 3.400 . 6.000 3.067 3.067 3.067 . 0 0 "[ ]" 1
263 3 21 LYS QB 3 22 VAL H 2.300 . 3.800 3.705 3.705 3.705 . 0 0 "[ ]" 1
264 3 21 LYS HA 3 22 VAL H 2.300 . 2.800 2.237 2.237 2.237 . 0 0 "[ ]" 1
265 3 21 LYS H 3 32 THR H 2.300 . 3.800 3.838 3.838 3.838 0.038 1 0 "[ ]" 1
266 3 21 LYS QB 3 23 TRP HZ3 3.400 . 6.000 3.368 3.368 3.368 . 0 0 "[ ]" 1
267 3 21 LYS HA 3 57 MET ME 3.400 . 6.000 6.038 6.038 6.038 0.038 1 0 "[ ]" 1
268 3 21 LYS QB 3 23 TRP HE3 2.300 . 3.800 3.780 3.780 3.780 . 0 0 "[ ]" 1
269 3 22 VAL H 3 22 VAL HA 2.900 . 4.000 2.974 2.974 2.974 . 0 0 "[ ]" 1
270 3 22 VAL H 3 22 VAL HB 2.300 . 3.800 3.862 3.862 3.862 0.062 1 0 "[ ]" 1
271 3 22 VAL HA 3 22 VAL HB 2.900 . 4.000 2.409 2.409 2.409 . 0 0 "[ ]" 1
272 3 22 VAL HA 3 22 VAL QG 2.900 . 6.400 2.328 2.328 2.328 . 0 0 "[ ]" 1
273 3 22 VAL H 3 22 VAL QG 3.400 . 7.400 2.051 2.051 2.051 . 0 0 "[ ]" 1
274 3 22 VAL HA 3 23 TRP H 2.300 . 2.800 2.214 2.214 2.214 . 0 0 "[ ]" 1
275 3 22 VAL HB 3 23 TRP H 2.900 . 4.000 3.810 3.810 3.810 . 0 0 "[ ]" 1
276 3 22 VAL QG 3 23 TRP HA 2.900 . 6.400 3.805 3.805 3.805 . 0 0 "[ ]" 1
277 3 22 VAL QG 3 24 ARG QG 3.400 . 8.400 5.444 5.444 5.444 . 0 0 "[ ]" 1
278 3 22 VAL HA 3 31 PHE HA 2.300 . 2.800 1.980 1.980 1.980 . 0 0 "[ ]" 1
279 3 22 VAL QG 3 31 PHE HA 3.400 . 7.400 1.925 1.925 1.925 . 0 0 "[ ]" 1
280 3 22 VAL QG 3 31 PHE QB 3.400 . 8.400 1.764 1.764 1.764 0.036 1 0 "[ ]" 1
281 3 22 VAL HA 3 32 THR H 3.400 . 5.000 3.672 3.672 3.672 . 0 0 "[ ]" 1
282 3 22 VAL QG 3 23 TRP H 2.900 . 6.400 3.678 3.678 3.678 . 0 0 "[ ]" 1
283 3 22 VAL HA 3 31 PHE QB 3.400 . 6.000 3.457 3.457 3.457 . 0 0 "[ ]" 1
284 3 22 VAL HB 3 29 ILE MG 3.400 . 6.000 1.927 1.927 1.927 . 0 0 "[ ]" 1
285 3 22 VAL QG 3 57 MET QB 3.400 . 6.000 4.859 4.859 4.859 . 0 0 "[ ]" 1
286 3 22 VAL QG 3 57 MET ME 3.400 . 6.000 1.841 1.841 1.841 . 0 0 "[ ]" 1
287 3 22 VAL QG 3 29 ILE MG 3.400 . 6.000 1.983 1.983 1.983 . 0 0 "[ ]" 1
288 3 22 VAL QG 3 31 PHE QD 3.400 . 6.000 3.151 3.151 3.151 . 0 0 "[ ]" 1
289 3 22 VAL QG 3 24 ARG HA 3.400 . 7.000 6.104 6.104 6.104 . 0 0 "[ ]" 1
290 3 22 VAL H 3 23 TRP H 2.900 . 4.500 4.023 4.023 4.023 . 0 0 "[ ]" 1
291 3 22 VAL H 3 23 TRP HE3 2.900 . 4.000 4.048 4.048 4.048 0.048 1 0 "[ ]" 1
292 3 22 VAL QG 3 24 ARG H 3.400 . 7.400 5.798 5.798 5.798 . 0 0 "[ ]" 1
293 3 22 VAL HA 3 31 PHE QD 2.900 . 6.000 5.161 5.161 5.161 . 0 0 "[ ]" 1
294 3 23 TRP H 3 23 TRP HB3 2.900 . 4.000 2.791 2.791 2.791 . 0 0 "[ ]" 1
295 3 23 TRP H 3 23 TRP HB2 2.900 . 4.000 3.704 3.704 3.704 . 0 0 "[ ]" 1
296 3 23 TRP H 3 23 TRP HE3 2.900 . 4.000 2.020 2.020 2.020 . 0 0 "[ ]" 1
297 3 23 TRP HA 3 23 TRP HB3 2.300 . 2.800 2.539 2.539 2.539 . 0 0 "[ ]" 1
298 3 23 TRP HA 3 23 TRP HB2 2.300 . 2.800 2.420 2.420 2.420 . 0 0 "[ ]" 1
299 3 23 TRP HB3 3 23 TRP HD1 2.900 . 4.000 3.771 3.771 3.771 . 0 0 "[ ]" 1
300 3 23 TRP HB3 3 23 TRP HE3 2.900 . 4.000 2.635 2.635 2.635 . 0 0 "[ ]" 1
301 3 23 TRP HB2 3 23 TRP HD1 2.900 . 4.000 2.609 2.609 2.609 . 0 0 "[ ]" 1
302 3 23 TRP HB2 3 23 TRP HE3 2.900 . 4.000 4.126 4.126 4.126 0.126 1 0 "[ ]" 1
303 3 23 TRP HA 3 24 ARG H 2.300 . 2.800 2.841 2.841 2.841 0.041 1 0 "[ ]" 1
304 3 23 TRP HB3 3 24 ARG H 2.900 . 4.000 3.693 3.693 3.693 . 0 0 "[ ]" 1
305 3 23 TRP HB2 3 24 ARG H 2.900 . 4.000 2.206 2.206 2.206 . 0 0 "[ ]" 1
306 3 23 TRP H 3 30 SER H 2.900 . 4.000 4.007 4.007 4.007 0.007 1 0 "[ ]" 1
307 3 23 TRP HA 3 58 LEU QD 3.400 . 7.000 6.827 6.827 6.827 . 0 0 "[ ]" 1
308 3 23 TRP HZ3 3 32 THR MG 3.400 . 6.000 2.074 2.074 2.074 . 0 0 "[ ]" 1
309 3 23 TRP HD1 3 25 VAL QG 3.400 . 5.300 2.957 2.957 2.957 . 0 0 "[ ]" 1
310 3 23 TRP HH2 3 32 THR HB 3.400 . 6.000 5.743 5.743 5.743 . 0 0 "[ ]" 1
311 3 23 TRP HH2 3 32 THR MG 3.400 . 6.000 3.009 3.009 3.009 . 0 0 "[ ]" 1
312 3 23 TRP HZ2 3 32 THR MG 3.400 . 6.000 4.943 4.943 4.943 . 0 0 "[ ]" 1
313 3 23 TRP HE3 3 32 THR MG 3.400 . 6.000 3.849 3.849 3.849 . 0 0 "[ ]" 1
314 3 23 TRP HD1 3 24 ARG H 2.900 . 4.000 2.348 2.348 2.348 . 0 0 "[ ]" 1
315 3 23 TRP HD1 3 25 VAL HA 3.400 . 5.000 3.935 3.935 3.935 . 0 0 "[ ]" 1
316 3 23 TRP HE1 3 25 VAL QG 3.400 . 5.300 2.700 2.700 2.700 . 0 0 "[ ]" 1
317 3 23 TRP H 3 31 PHE HA 2.900 . 4.000 3.789 3.789 3.789 . 0 0 "[ ]" 1
318 3 24 ARG H 3 24 ARG QG 2.900 . 5.000 2.125 2.125 2.125 . 0 0 "[ ]" 1
319 3 24 ARG HA 3 24 ARG QG 2.900 . 5.000 3.293 3.293 3.293 . 0 0 "[ ]" 1
320 3 24 ARG QB 3 24 ARG QG 2.300 . 4.800 2.093 2.093 2.093 . 0 0 "[ ]" 1
321 3 24 ARG QD 3 24 ARG QG 2.300 . 4.800 2.059 2.059 2.059 . 0 0 "[ ]" 1
322 3 24 ARG H 3 24 ARG HA 2.900 . 4.000 2.937 2.937 2.937 . 0 0 "[ ]" 1
323 3 24 ARG H 3 24 ARG QB 2.900 . 5.000 3.226 3.226 3.226 . 0 0 "[ ]" 1
324 3 24 ARG HA 3 25 VAL H 2.900 . 4.000 2.372 2.372 2.372 . 0 0 "[ ]" 1
325 3 24 ARG HA 3 25 VAL QG 3.400 . 6.000 3.912 3.912 3.912 . 0 0 "[ ]" 1
326 3 24 ARG QG 3 25 VAL H 2.900 . 5.000 4.294 4.294 4.294 . 0 0 "[ ]" 1
327 3 24 ARG HA 3 29 ILE HA 2.300 . 2.800 2.993 2.993 2.993 0.193 1 0 "[ ]" 1
328 3 24 ARG QG 3 29 ILE MD 2.900 . 5.300 3.692 3.692 3.692 . 0 0 "[ ]" 1
329 3 24 ARG HA 3 30 SER H 3.400 . 5.000 2.383 2.383 2.383 . 0 0 "[ ]" 1
330 3 24 ARG HA 3 29 ILE MD 3.400 . 6.000 4.314 4.314 4.314 . 0 0 "[ ]" 1
331 3 25 VAL H 3 25 VAL HB 3.400 . 6.000 2.568 2.568 2.568 . 0 0 "[ ]" 1
332 3 25 VAL H 3 25 VAL QG 3.400 . 5.300 2.036 2.036 2.036 . 0 0 "[ ]" 1
333 3 25 VAL HA 3 25 VAL HB 2.900 . 4.000 3.053 3.053 3.053 . 0 0 "[ ]" 1
334 3 25 VAL HA 3 26 GLY H 2.900 . 4.000 3.545 3.545 3.545 . 0 0 "[ ]" 1
335 3 25 VAL QG 3 26 GLY H 3.400 . 5.300 2.719 2.719 2.719 . 0 0 "[ ]" 1
336 3 25 VAL H 3 28 MET H 2.900 . 4.000 4.565 4.565 4.565 0.565 1 1 [+] 1
337 3 26 GLY H 3 26 GLY QA 2.300 . 3.800 2.526 2.526 2.526 . 0 0 "[ ]" 1
338 3 26 GLY QA 3 27 LYS H 2.300 . 3.800 2.727 2.727 2.727 . 0 0 "[ ]" 1
339 3 26 GLY H 3 27 LYS H 2.900 . 4.000 2.001 2.001 2.001 . 0 0 "[ ]" 1
340 3 27 LYS H 3 28 MET H 2.300 . 2.800 2.033 2.033 2.033 . 0 0 "[ ]" 1
341 3 27 LYS QB 3 28 MET HA 3.400 . 6.000 4.656 4.656 4.656 . 0 0 "[ ]" 1
342 3 27 LYS QG 3 28 MET QB 3.400 . 6.000 2.932 2.932 2.932 . 0 0 "[ ]" 1
343 3 27 LYS QB 3 46 SER QB 3.400 . 6.000 5.348 5.348 5.348 . 0 0 "[ ]" 1
344 3 27 LYS QB 3 46 SER HA 3.400 . 6.000 6.130 6.130 6.130 0.130 1 0 "[ ]" 1
345 3 27 LYS QB 3 47 GLU HA 3.400 . 7.000 9.954 9.954 9.954 2.954 1 1 [+] 1
346 3 28 MET HA 3 28 MET HB3 2.300 . 2.800 2.374 2.374 2.374 . 0 0 "[ ]" 1
347 3 28 MET HA 3 28 MET HB2 2.300 . 2.800 2.601 2.601 2.601 . 0 0 "[ ]" 1
348 3 28 MET HB2 3 28 MET ME 2.300 . 3.100 3.129 3.129 3.129 0.029 1 0 "[ ]" 1
349 3 28 MET H 3 28 MET HB3 2.900 . 4.000 3.623 3.623 3.623 . 0 0 "[ ]" 1
350 3 28 MET H 3 28 MET HB2 2.900 . 4.000 3.891 3.891 3.891 . 0 0 "[ ]" 1
351 3 28 MET HB3 3 28 MET ME 2.300 . 3.100 1.813 1.813 1.813 . 0 0 "[ ]" 1
352 3 28 MET HB3 3 28 MET QG 2.300 . 3.800 2.404 2.404 2.404 . 0 0 "[ ]" 1
353 3 28 MET HB2 3 28 MET QG 2.300 . 3.800 2.316 2.316 2.316 . 0 0 "[ ]" 1
354 3 28 MET HA 3 29 ILE MD 3.400 . 5.300 2.841 2.841 2.841 . 0 0 "[ ]" 1
355 3 28 MET HB3 3 29 ILE MD 2.900 . 5.300 4.553 4.553 4.553 . 0 0 "[ ]" 1
356 3 28 MET HB2 3 29 ILE MD 2.900 . 4.300 3.750 3.750 3.750 . 0 0 "[ ]" 1
357 3 28 MET HA 3 45 VAL MG2 2.900 . 5.300 5.258 5.258 5.258 . 0 0 "[ ]" 1
358 3 28 MET HA 3 46 SER HA 2.300 . 4.800 3.136 3.136 3.136 . 0 0 "[ ]" 1
359 3 28 MET HA 3 46 SER QB 2.300 . 3.800 3.827 3.827 3.827 0.027 1 0 "[ ]" 1
360 3 28 MET HB3 3 46 SER HA 2.300 . 2.800 2.009 2.009 2.009 . 0 0 "[ ]" 1
361 3 28 MET HB3 3 46 SER QB 2.300 . 3.800 1.951 1.951 1.951 . 0 0 "[ ]" 1
362 3 28 MET QG 3 46 SER HA 2.900 . 5.000 3.661 3.661 3.661 . 0 0 "[ ]" 1
363 3 28 MET HA 3 29 ILE H 2.300 . 2.800 3.370 3.370 3.370 0.570 1 1 [+] 1
364 3 28 MET HA 3 47 GLU H 2.300 . 3.800 3.929 3.929 3.929 0.129 1 0 "[ ]" 1
365 3 28 MET ME 3 44 ALA MB 3.400 . 6.000 3.065 3.065 3.065 . 0 0 "[ ]" 1
366 3 28 MET QG 3 45 VAL HA 3.400 . 6.000 4.596 4.596 4.596 . 0 0 "[ ]" 1
367 3 29 ILE HA 3 29 ILE HB 2.900 . 4.000 2.998 2.998 2.998 . 0 0 "[ ]" 1
368 3 29 ILE HA 3 29 ILE MG 2.900 . 4.300 2.060 2.060 2.060 . 0 0 "[ ]" 1
369 3 29 ILE HA 3 29 ILE QG 2.900 . 5.000 3.195 3.195 3.195 . 0 0 "[ ]" 1
370 3 29 ILE H 3 29 ILE MG 3.400 . 5.300 3.957 3.957 3.957 . 0 0 "[ ]" 1
371 3 29 ILE H 3 29 ILE MD 3.400 . 5.300 3.381 3.381 3.381 . 0 0 "[ ]" 1
372 3 29 ILE HB 3 29 ILE MG 2.300 . 3.100 2.131 2.131 2.131 . 0 0 "[ ]" 1
373 3 29 ILE HB 3 29 ILE MD 2.900 . 4.300 3.180 3.180 3.180 . 0 0 "[ ]" 1
374 3 29 ILE MD 3 29 ILE MG 2.900 . 4.600 1.870 1.870 1.870 . 0 0 "[ ]" 1
375 3 29 ILE QG 3 29 ILE MG 2.300 . 4.100 2.306 2.306 2.306 . 0 0 "[ ]" 1
376 3 29 ILE HA 3 30 SER H 2.300 . 2.800 2.384 2.384 2.384 . 0 0 "[ ]" 1
377 3 29 ILE HA 3 45 VAL QG 3.400 . 7.400 3.944 3.944 3.944 . 0 0 "[ ]" 1
378 3 29 ILE MD 3 46 SER HA 2.900 . 4.300 4.314 4.314 4.314 0.014 1 0 "[ ]" 1
379 3 29 ILE MD 3 46 SER QB 2.900 . 6.300 5.470 5.470 5.470 . 0 0 "[ ]" 1
380 3 29 ILE MG 3 45 VAL QG 3.400 . 6.000 3.285 3.285 3.285 . 0 0 "[ ]" 1
381 3 29 ILE MG 3 44 ALA HA 3.400 . 6.000 5.925 5.925 5.925 . 0 0 "[ ]" 1
382 3 29 ILE HB 3 45 VAL QG 3.400 . 6.000 2.021 2.021 2.021 . 0 0 "[ ]" 1
383 3 29 ILE MD 3 47 GLU HA 3.400 . 7.000 5.470 5.470 5.470 . 0 0 "[ ]" 1
384 3 29 ILE MG 3 31 PHE QD 2.900 . 6.300 5.324 5.324 5.324 . 0 0 "[ ]" 1
385 3 30 SER HA 3 44 ALA HA 2.300 . 2.800 1.861 1.861 1.861 . 0 0 "[ ]" 1
386 3 30 SER HA 3 44 ALA MB 2.900 . 4.300 3.312 3.312 3.312 . 0 0 "[ ]" 1
387 3 30 SER HA 3 31 PHE H 2.300 . 2.800 2.273 2.273 2.273 . 0 0 "[ ]" 1
388 3 30 SER HA 3 45 VAL H 2.900 . 4.000 3.061 3.061 3.061 . 0 0 "[ ]" 1
389 3 30 SER HA 3 46 SER H 2.900 . 7.000 7.056 7.056 7.056 0.056 1 0 "[ ]" 1
390 3 30 SER HA 3 31 PHE QD 2.900 . 6.000 3.718 3.718 3.718 . 0 0 "[ ]" 1
391 3 31 PHE HA 3 31 PHE QB 2.300 . 3.800 2.178 2.178 2.178 . 0 0 "[ ]" 1
392 3 31 PHE H 3 31 PHE QD 2.900 . 6.000 1.846 1.846 1.846 . 0 0 "[ ]" 1
393 3 31 PHE HA 3 31 PHE QD 2.900 . 6.000 3.581 3.581 3.581 . 0 0 "[ ]" 1
394 3 31 PHE H 3 31 PHE HA 2.900 . 4.000 2.993 2.993 2.993 . 0 0 "[ ]" 1
395 3 31 PHE HA 3 32 THR H 2.300 . 2.800 2.354 2.354 2.354 . 0 0 "[ ]" 1
396 3 31 PHE QE 3 45 VAL QG 3.400 . 9.400 2.534 2.534 2.534 . 0 0 "[ ]" 1
397 3 31 PHE QB 3 32 THR H 2.900 . 5.000 2.852 2.852 2.852 . 0 0 "[ ]" 1
398 3 31 PHE H 3 43 GLY H 2.900 . 4.000 3.351 3.351 3.351 . 0 0 "[ ]" 1
399 3 31 PHE QD 3 33 TYR QD 3.400 . 6.000 3.640 3.640 3.640 . 0 0 "[ ]" 1
400 3 31 PHE QD 3 32 THR H 2.300 . 4.800 3.794 3.794 3.794 . 0 0 "[ ]" 1
401 3 31 PHE QD 3 32 THR HA 2.900 . 6.000 4.159 4.159 4.159 . 0 0 "[ ]" 1
402 3 31 PHE QD 3 33 TYR QB 2.900 . 7.000 3.413 3.413 3.413 . 0 0 "[ ]" 1
403 3 31 PHE QE 3 33 TYR QD 2.300 . 6.800 2.758 2.758 2.758 . 0 0 "[ ]" 1
404 3 31 PHE QE 3 33 TYR QE 2.900 . 8.000 2.717 2.717 2.717 . 0 0 "[ ]" 1
405 3 31 PHE QE 3 32 THR HA 2.900 . 6.000 4.634 4.634 4.634 . 0 0 "[ ]" 1
406 3 31 PHE QD 3 33 TYR H 2.900 . 6.000 4.707 4.707 4.707 . 0 0 "[ ]" 1
407 3 31 PHE H 3 44 ALA MB 2.900 . 4.300 4.631 4.631 4.631 0.331 1 0 "[ ]" 1
408 3 32 THR HA 3 32 THR HB 2.900 . 4.000 2.456 2.456 2.456 . 0 0 "[ ]" 1
409 3 32 THR HA 3 32 THR MG 2.900 . 4.300 2.425 2.425 2.425 . 0 0 "[ ]" 1
410 3 32 THR H 3 32 THR MG 3.400 . 6.000 2.642 2.642 2.642 . 0 0 "[ ]" 1
411 3 32 THR H 3 32 THR HA 2.900 . 4.000 3.004 3.004 3.004 . 0 0 "[ ]" 1
412 3 32 THR HA 3 33 TYR H 2.900 . 4.000 2.226 2.226 2.226 . 0 0 "[ ]" 1
413 3 32 THR MG 3 33 TYR H 2.900 . 4.300 4.230 4.230 4.230 . 0 0 "[ ]" 1
414 3 32 THR HA 3 42 ARG HA 2.900 . 4.000 2.033 2.033 2.033 . 0 0 "[ ]" 1
415 3 32 THR MG 3 42 ARG HA 3.400 . 5.300 1.820 1.820 1.820 . 0 0 "[ ]" 1
416 3 32 THR MG 3 42 ARG QD 3.400 . 6.300 3.882 3.882 3.882 . 0 0 "[ ]" 1
417 3 32 THR HB 3 33 TYR H 2.900 . 4.000 3.609 3.609 3.609 . 0 0 "[ ]" 1
418 3 32 THR HA 3 40 THR MG 3.400 . 6.000 3.890 3.890 3.890 . 0 0 "[ ]" 1
419 3 32 THR HB 3 40 THR MG 3.400 . 6.000 1.871 1.871 1.871 . 0 0 "[ ]" 1
420 3 32 THR MG 3 40 THR MG 3.400 . 6.000 2.404 2.404 2.404 . 0 0 "[ ]" 1
421 3 32 THR MG 3 42 ARG QB 3.400 . 6.000 2.032 2.032 2.032 . 0 0 "[ ]" 1
422 3 32 THR HA 3 33 TYR QD 3.400 . 7.000 3.197 3.197 3.197 . 0 0 "[ ]" 1
423 3 32 THR MG 3 33 TYR HA 3.400 . 6.300 5.583 5.583 5.583 . 0 0 "[ ]" 1
424 3 32 THR MG 3 33 TYR QD 2.900 . 6.300 4.966 4.966 4.966 . 0 0 "[ ]" 1
425 3 33 TYR H 3 33 TYR HA 2.900 . 4.000 3.004 3.004 3.004 . 0 0 "[ ]" 1
426 3 33 TYR QB 3 33 TYR QD 2.900 . 7.000 2.149 2.149 2.149 . 0 0 "[ ]" 1
427 3 33 TYR H 3 33 TYR QD 2.300 . 4.800 2.117 2.117 2.117 . 0 0 "[ ]" 1
428 3 33 TYR HA 3 33 TYR QD 3.400 . 7.000 3.703 3.703 3.703 . 0 0 "[ ]" 1
429 3 33 TYR HA 3 34 ASP H 2.300 . 3.800 3.587 3.587 3.587 . 0 0 "[ ]" 1
430 3 33 TYR QD 3 34 ASP H 2.900 . 6.000 2.776 2.776 2.776 . 0 0 "[ ]" 1
431 3 33 TYR QD 3 35 GLU QG 2.900 . 7.000 6.296 6.296 6.296 . 0 0 "[ ]" 1
432 3 33 TYR QE 3 35 GLU QG 2.900 . 7.000 5.996 5.996 5.996 . 0 0 "[ ]" 1
433 3 33 TYR QD 3 41 GLY QA 2.300 . 5.800 4.533 4.533 4.533 . 0 0 "[ ]" 1
434 3 33 TYR QE 3 41 GLY QA 2.900 . 7.000 4.263 4.263 4.263 . 0 0 "[ ]" 1
435 3 33 TYR QE 3 44 ALA H 2.900 . 6.000 5.971 5.971 5.971 . 0 0 "[ ]" 1
436 3 33 TYR H 3 40 THR MG 3.400 . 5.300 4.552 4.552 4.552 . 0 0 "[ ]" 1
437 3 34 ASP H 3 34 ASP HA 2.900 . 4.000 2.887 2.887 2.887 . 0 0 "[ ]" 1
438 3 34 ASP H 3 34 ASP HB3 2.900 . 4.000 3.392 3.392 3.392 . 0 0 "[ ]" 1
439 3 34 ASP H 3 34 ASP HB2 2.900 . 4.000 3.087 3.087 3.087 . 0 0 "[ ]" 1
440 3 34 ASP HA 3 34 ASP HB3 2.900 . 4.000 2.963 2.963 2.963 . 0 0 "[ ]" 1
441 3 34 ASP HA 3 34 ASP HB2 2.900 . 4.000 2.730 2.730 2.730 . 0 0 "[ ]" 1
442 3 34 ASP HA 3 35 GLU H 2.300 . 3.800 2.551 2.551 2.551 . 0 0 "[ ]" 1
443 3 34 ASP HB2 3 36 GLY H 2.300 . 4.800 4.763 4.763 4.763 . 0 0 "[ ]" 1
444 3 34 ASP QB 3 35 GLU QB 2.900 . 6.000 4.733 4.733 4.733 . 0 0 "[ ]" 1
445 3 34 ASP HA 3 40 THR HB 3.400 . 6.000 5.553 5.553 5.553 . 0 0 "[ ]" 1
446 3 34 ASP HB3 3 35 GLU H 2.900 . 4.000 2.915 2.915 2.915 . 0 0 "[ ]" 1
447 3 34 ASP HB2 3 35 GLU H 2.900 . 4.000 3.972 3.972 3.972 . 0 0 "[ ]" 1
448 3 35 GLU H 3 35 GLU HB3 2.900 . 4.000 3.373 3.373 3.373 . 0 0 "[ ]" 1
449 3 35 GLU H 3 35 GLU HB2 2.900 . 4.000 3.888 3.888 3.888 . 0 0 "[ ]" 1
450 3 35 GLU HA 3 35 GLU HB3 2.900 . 4.000 2.436 2.436 2.436 . 0 0 "[ ]" 1
451 3 35 GLU HA 3 35 GLU HB2 2.900 . 4.000 2.517 2.517 2.517 . 0 0 "[ ]" 1
452 3 35 GLU HB2 3 35 GLU QG 2.300 . 3.800 2.538 2.538 2.538 . 0 0 "[ ]" 1
453 3 35 GLU H 3 35 GLU HA 2.900 . 4.000 2.956 2.956 2.956 . 0 0 "[ ]" 1
454 3 35 GLU HA 3 36 GLY H 2.300 . 3.800 2.964 2.964 2.964 . 0 0 "[ ]" 1
455 3 36 GLY H 3 36 GLY QA 2.300 . 3.800 2.398 2.398 2.398 . 0 0 "[ ]" 1
456 3 36 GLY QA 3 37 GLY H 2.900 . 5.000 2.835 2.835 2.835 . 0 0 "[ ]" 1
457 3 36 GLY H 3 38 GLY QA 2.900 . 5.000 4.817 4.817 4.817 . 0 0 "[ ]" 1
458 3 37 GLY QA 3 38 GLY H 2.900 . 5.000 2.585 2.585 2.585 . 0 0 "[ ]" 1
459 3 37 GLY QA 3 39 LYS H 2.900 . 5.000 4.265 4.265 4.265 . 0 0 "[ ]" 1
460 3 38 GLY H 3 38 GLY QA 2.300 . 3.800 2.521 2.521 2.521 . 0 0 "[ ]" 1
461 3 38 GLY QA 3 39 LYS H 2.900 . 5.000 2.763 2.763 2.763 . 0 0 "[ ]" 1
462 3 38 GLY H 3 39 LYS H 2.300 . 2.800 1.873 1.873 1.873 . 0 0 "[ ]" 1
463 3 39 LYS H 3 39 LYS QB 2.300 . 3.800 2.165 2.165 2.165 . 0 0 "[ ]" 1
464 3 39 LYS HA 3 39 LYS QB 2.300 . 3.800 2.520 2.520 2.520 . 0 0 "[ ]" 1
465 3 39 LYS H 3 39 LYS HA 2.900 . 4.000 2.971 2.971 2.971 . 0 0 "[ ]" 1
466 3 39 LYS H 3 39 LYS QD 3.400 . 6.000 3.639 3.639 3.639 . 0 0 "[ ]" 1
467 3 39 LYS H 3 39 LYS QG 3.400 . 6.000 4.068 4.068 4.068 . 0 0 "[ ]" 1
468 3 39 LYS HA 3 40 THR H 2.300 . 2.800 2.752 2.752 2.752 . 0 0 "[ ]" 1
469 3 39 LYS H 3 41 GLY QA 2.300 . 4.800 4.823 4.823 4.823 0.023 1 0 "[ ]" 1
470 3 39 LYS HA 3 41 GLY H 2.300 . 4.800 4.653 4.653 4.653 . 0 0 "[ ]" 1
471 3 39 LYS H 3 40 THR H 2.900 . 4.000 3.341 3.341 3.341 . 0 0 "[ ]" 1
472 3 40 THR H 3 40 THR HB 2.900 . 4.000 3.872 3.872 3.872 . 0 0 "[ ]" 1
473 3 40 THR H 3 40 THR MG 3.400 . 5.300 3.715 3.715 3.715 . 0 0 "[ ]" 1
474 3 40 THR H 3 40 THR HA 2.900 . 4.000 2.368 2.368 2.368 . 0 0 "[ ]" 1
475 3 40 THR H 3 41 GLY QA 2.300 . 5.800 4.855 4.855 4.855 . 0 0 "[ ]" 1
476 3 40 THR HA 3 41 GLY H 3.400 . 6.000 3.578 3.578 3.578 . 0 0 "[ ]" 1
477 3 40 THR HB 3 41 GLY H 2.900 . 4.000 1.872 1.872 1.872 . 0 0 "[ ]" 1
478 3 40 THR MG 3 41 GLY H 3.400 . 5.300 3.507 3.507 3.507 . 0 0 "[ ]" 1
479 3 41 GLY H 3 41 GLY QA 2.300 . 3.800 2.244 2.244 2.244 . 0 0 "[ ]" 1
480 3 41 GLY QA 3 42 ARG H 2.300 . 3.800 2.330 2.330 2.330 . 0 0 "[ ]" 1
481 3 42 ARG H 3 42 ARG HA 2.300 . 2.800 2.832 2.832 2.832 0.032 1 0 "[ ]" 1
482 3 42 ARG H 3 42 ARG QB 3.400 . 6.000 1.988 1.988 1.988 . 0 0 "[ ]" 1
483 3 42 ARG H 3 43 GLY QA 2.900 . 5.000 5.137 5.137 5.137 0.137 1 0 "[ ]" 1
484 3 42 ARG H 3 43 GLY H 2.300 . 4.800 4.606 4.606 4.606 . 0 0 "[ ]" 1
485 3 43 GLY QA 3 44 ALA H 2.300 . 3.800 2.294 2.294 2.294 . 0 0 "[ ]" 1
486 3 44 ALA H 3 44 ALA HA 2.900 . 4.000 2.974 2.974 2.974 . 0 0 "[ ]" 1
487 3 44 ALA H 3 44 ALA MB 3.400 . 5.300 2.109 2.109 2.109 . 0 0 "[ ]" 1
488 3 44 ALA HA 3 45 VAL H 2.300 . 2.800 2.221 2.221 2.221 . 0 0 "[ ]" 1
489 3 44 ALA MB 3 45 VAL H 3.400 . 5.300 3.455 3.455 3.455 . 0 0 "[ ]" 1
490 3 44 ALA H 3 45 VAL QG 3.400 . 6.000 3.945 3.945 3.945 . 0 0 "[ ]" 1
491 3 45 VAL H 3 45 VAL HA 2.300 . 2.800 2.977 2.977 2.977 0.177 1 0 "[ ]" 1
492 3 45 VAL HA 3 45 VAL HB 2.300 . 2.800 2.445 2.445 2.445 . 0 0 "[ ]" 1
493 3 45 VAL HA 3 45 VAL MG1 2.900 . 4.300 2.427 2.427 2.427 . 0 0 "[ ]" 1
494 3 45 VAL HA 3 45 VAL MG2 2.900 . 4.300 3.178 3.178 3.178 . 0 0 "[ ]" 1
495 3 45 VAL HB 3 45 VAL MG1 2.300 . 3.100 2.148 2.148 2.148 . 0 0 "[ ]" 1
496 3 45 VAL HB 3 45 VAL MG2 2.300 . 3.100 2.120 2.120 2.120 . 0 0 "[ ]" 1
497 3 45 VAL H 3 45 VAL MG1 3.400 . 5.300 2.350 2.350 2.350 . 0 0 "[ ]" 1
498 3 45 VAL H 3 45 VAL MG2 3.400 . 5.300 1.864 1.864 1.864 . 0 0 "[ ]" 1
499 3 45 VAL HA 3 46 SER H 2.300 . 2.800 2.220 2.220 2.220 . 0 0 "[ ]" 1
500 3 45 VAL MG1 3 49 ASP HB2 2.900 . 6.300 4.511 4.511 4.511 . 0 0 "[ ]" 1
501 3 45 VAL QG 3 46 SER QB 3.400 . 8.400 4.628 4.628 4.628 . 0 0 "[ ]" 1
502 3 45 VAL HB 3 46 SER H 2.900 . 4.000 3.826 3.826 3.826 . 0 0 "[ ]" 1
503 3 45 VAL QG 3 50 ALA H 3.400 . 6.000 4.677 4.677 4.677 . 0 0 "[ ]" 1
504 3 45 VAL QG 3 50 ALA MB 3.400 . 6.000 3.662 3.662 3.662 . 0 0 "[ ]" 1
505 3 45 VAL QG 3 49 ASP H 3.400 . 6.000 5.303 5.303 5.303 . 0 0 "[ ]" 1
506 3 45 VAL MG1 3 46 SER H 3.400 . 5.300 4.259 4.259 4.259 . 0 0 "[ ]" 1
507 3 45 VAL MG2 3 46 SER H 3.400 . 5.300 4.058 4.058 4.058 . 0 0 "[ ]" 1
508 3 46 SER HA 3 46 SER QB 2.300 . 3.800 2.170 2.170 2.170 . 0 0 "[ ]" 1
509 3 46 SER HA 3 50 ALA H 3.400 . 7.000 5.481 5.481 5.481 . 0 0 "[ ]" 1
510 3 47 GLU H 3 47 GLU QB 2.300 . 3.800 2.413 2.413 2.413 . 0 0 "[ ]" 1
511 3 47 GLU HA 3 47 GLU QB 2.300 . 3.800 2.409 2.409 2.409 . 0 0 "[ ]" 1
512 3 47 GLU HA 3 47 GLU QG 3.400 . 6.000 2.251 2.251 2.251 . 0 0 "[ ]" 1
513 3 47 GLU H 3 47 GLU QG 2.900 . 5.000 2.013 2.013 2.013 . 0 0 "[ ]" 1
514 3 47 GLU H 3 48 LYS H 2.900 . 5.000 2.914 2.914 2.914 . 0 0 "[ ]" 1
515 3 47 GLU HA 3 48 LYS H 2.900 . 4.000 3.530 3.530 3.530 . 0 0 "[ ]" 1
516 3 47 GLU HA 3 49 ASP H 2.900 . 4.000 4.032 4.032 4.032 0.032 1 0 "[ ]" 1
517 3 47 GLU HA 3 50 ALA H 2.900 . 6.000 4.010 4.010 4.010 . 0 0 "[ ]" 1
518 3 48 LYS H 3 48 LYS HA 2.900 . 4.000 2.955 2.955 2.955 . 0 0 "[ ]" 1
519 3 48 LYS H 3 48 LYS QB 2.300 . 3.800 2.082 2.082 2.082 . 0 0 "[ ]" 1
520 3 48 LYS HA 3 48 LYS QB 2.300 . 3.800 2.534 2.534 2.534 . 0 0 "[ ]" 1
521 3 48 LYS HA 3 48 LYS QG 2.900 . 5.000 1.949 1.949 1.949 . 0 0 "[ ]" 1
522 3 48 LYS H 3 48 LYS QE 2.900 . 5.000 4.896 4.896 4.896 . 0 0 "[ ]" 1
523 3 48 LYS HA 3 48 LYS QE 2.300 . 3.800 2.969 2.969 2.969 . 0 0 "[ ]" 1
524 3 48 LYS H 3 49 ASP H 2.300 . 4.800 2.357 2.357 2.357 . 0 0 "[ ]" 1
525 3 48 LYS QG 3 52 LYS QB 3.400 . 7.000 6.974 6.974 6.974 . 0 0 "[ ]" 1
526 3 48 LYS HA 3 49 ASP H 2.900 . 4.000 3.417 3.417 3.417 . 0 0 "[ ]" 1
527 3 48 LYS HA 3 50 ALA H 2.900 . 5.000 4.498 4.498 4.498 . 0 0 "[ ]" 1
528 3 49 ASP H 3 49 ASP HA 2.300 . 2.800 2.907 2.907 2.907 0.107 1 0 "[ ]" 1
529 3 49 ASP H 3 49 ASP HB3 2.900 . 4.000 3.460 3.460 3.460 . 0 0 "[ ]" 1
530 3 49 ASP H 3 49 ASP HB2 2.900 . 4.000 2.111 2.111 2.111 . 0 0 "[ ]" 1
531 3 49 ASP HA 3 49 ASP HB3 2.900 . 4.000 2.634 2.634 2.634 . 0 0 "[ ]" 1
532 3 49 ASP HA 3 49 ASP HB2 2.900 . 4.000 3.004 3.004 3.004 . 0 0 "[ ]" 1
533 3 49 ASP HA 3 50 ALA H 2.900 . 4.000 3.572 3.572 3.572 . 0 0 "[ ]" 1
534 3 49 ASP H 3 50 ALA H 2.300 . 2.800 2.539 2.539 2.539 . 0 0 "[ ]" 1
535 3 51 PRO HA 3 51 PRO QB 2.300 . 3.800 2.197 2.197 2.197 . 0 0 "[ ]" 1
536 3 51 PRO HA 3 51 PRO QG 2.900 . 5.000 3.515 3.515 3.515 . 0 0 "[ ]" 1
537 3 51 PRO HA 3 52 LYS H 2.900 . 4.000 2.641 2.641 2.641 . 0 0 "[ ]" 1
538 3 51 PRO QB 3 52 LYS H 2.900 . 5.000 4.009 4.009 4.009 . 0 0 "[ ]" 1
539 3 51 PRO QB 3 54 LEU QB 2.900 . 7.400 6.513 6.513 6.513 . 0 0 "[ ]" 1
540 3 52 LYS H 3 52 LYS QB 2.300 . 3.800 2.913 2.913 2.913 . 0 0 "[ ]" 1
541 3 52 LYS HA 3 52 LYS QB 2.300 . 3.800 2.479 2.479 2.479 . 0 0 "[ ]" 1
542 3 52 LYS H 3 53 GLU H 2.900 . 4.000 2.665 2.665 2.665 . 0 0 "[ ]" 1
543 3 52 LYS HA 3 54 LEU H 2.300 . 3.800 3.370 3.370 3.370 . 0 0 "[ ]" 1
544 3 53 GLU HA 3 53 GLU QB 2.300 . 3.800 2.444 2.444 2.444 . 0 0 "[ ]" 1
545 3 53 GLU HA 3 53 GLU QG 2.300 . 3.800 2.722 2.722 2.722 . 0 0 "[ ]" 1
546 3 53 GLU QB 3 53 GLU QG 2.300 . 4.800 2.030 2.030 2.030 . 0 0 "[ ]" 1
547 3 53 GLU H 3 53 GLU QB 3.400 . 6.000 2.292 2.292 2.292 . 0 0 "[ ]" 1
548 3 53 GLU HA 3 56 GLN QB 2.300 . 3.800 3.734 3.734 3.734 . 0 0 "[ ]" 1
549 3 53 GLU H 3 54 LEU H 2.900 . 4.000 2.669 2.669 2.669 . 0 0 "[ ]" 1
550 3 53 GLU H 3 54 LEU QD 3.400 . 7.400 4.992 4.992 4.992 . 0 0 "[ ]" 1
551 3 53 GLU HA 3 54 LEU H 2.900 . 4.000 3.089 3.089 3.089 . 0 0 "[ ]" 1
552 3 54 LEU H 3 54 LEU HA 2.300 . 2.800 2.969 2.969 2.969 0.169 1 0 "[ ]" 1
553 3 54 LEU HA 3 54 LEU QB 2.300 . 3.800 2.365 2.365 2.365 . 0 0 "[ ]" 1
554 3 54 LEU HA 3 54 LEU QD 2.900 . 6.400 2.140 2.140 2.140 . 0 0 "[ ]" 1
555 3 54 LEU QB 3 54 LEU QD 2.300 . 6.200 1.848 1.848 1.848 . 0 0 "[ ]" 1
556 3 54 LEU H 3 54 LEU QD 3.400 . 7.400 3.905 3.905 3.905 . 0 0 "[ ]" 1
557 3 54 LEU H 3 55 LEU HA 2.900 . 6.000 4.748 4.748 4.748 . 0 0 "[ ]" 1
558 3 54 LEU HA 3 55 LEU H 2.900 . 4.000 3.586 3.586 3.586 . 0 0 "[ ]" 1
559 3 54 LEU QD 3 55 LEU HA 3.400 . 7.400 3.979 3.979 3.979 . 0 0 "[ ]" 1
560 3 54 LEU QD 3 57 MET QG 3.400 . 8.400 3.818 3.818 3.818 . 0 0 "[ ]" 1
561 3 54 LEU HA 3 58 LEU QD 3.400 . 8.400 6.520 6.520 6.520 . 0 0 "[ ]" 1
562 3 54 LEU H 3 55 LEU QD 3.400 . 7.400 3.355 3.355 3.355 . 0 0 "[ ]" 1
563 3 54 LEU HA 3 56 GLN H 2.900 . 4.000 3.744 3.744 3.744 . 0 0 "[ ]" 1
564 3 54 LEU HA 3 57 MET H 2.900 . 4.000 3.150 3.150 3.150 . 0 0 "[ ]" 1
565 3 54 LEU HA 3 58 LEU H 2.900 . 5.000 5.032 5.032 5.032 0.032 1 0 "[ ]" 1
566 3 55 LEU H 3 55 LEU HA 2.900 . 4.000 2.785 2.785 2.785 . 0 0 "[ ]" 1
567 3 55 LEU HA 3 55 LEU HG 2.300 . 3.800 3.550 3.550 3.550 . 0 0 "[ ]" 1
568 3 55 LEU HA 3 55 LEU QB 2.300 . 3.800 2.208 2.208 2.208 . 0 0 "[ ]" 1
569 3 55 LEU HA 3 55 LEU QD 2.900 . 6.400 3.343 3.343 3.343 . 0 0 "[ ]" 1
570 3 55 LEU QB 3 55 LEU HG 2.300 . 3.800 2.497 2.497 2.497 . 0 0 "[ ]" 1
571 3 55 LEU H 3 55 LEU HG 2.300 . 2.800 2.082 2.082 2.082 . 0 0 "[ ]" 1
572 3 55 LEU H 3 55 LEU QB 2.300 . 3.800 2.376 2.376 2.376 . 0 0 "[ ]" 1
573 3 55 LEU QB 3 56 GLN H 2.900 . 5.000 3.548 3.548 3.548 . 0 0 "[ ]" 1
574 3 55 LEU H 3 56 GLN H 2.300 . 3.800 2.813 2.813 2.813 . 0 0 "[ ]" 1
575 3 55 LEU HA 3 56 GLN H 2.900 . 4.000 3.491 3.491 3.491 . 0 0 "[ ]" 1
576 3 55 LEU QD 3 56 GLN H 3.400 . 7.400 2.543 2.543 2.543 . 0 0 "[ ]" 1
577 3 55 LEU HA 3 57 MET H 2.900 . 4.000 4.032 4.032 4.032 0.032 1 0 "[ ]" 1
578 3 55 LEU HA 3 58 LEU H 2.900 . 4.000 3.621 3.621 3.621 . 0 0 "[ ]" 1
579 3 56 GLN H 3 56 GLN HA 2.900 . 4.000 2.919 2.919 2.919 . 0 0 "[ ]" 1
580 3 56 GLN H 3 56 GLN QB 2.300 . 3.800 2.146 2.146 2.146 . 0 0 "[ ]" 1
581 3 56 GLN H 3 56 GLN QG 2.300 . 4.800 3.873 3.873 3.873 . 0 0 "[ ]" 1
582 3 56 GLN HA 3 56 GLN QB 2.300 . 3.800 2.324 2.324 2.324 . 0 0 "[ ]" 1
583 3 56 GLN HA 3 56 GLN QG 2.900 . 5.000 2.598 2.598 2.598 . 0 0 "[ ]" 1
584 3 56 GLN QB 3 56 GLN QG 2.300 . 4.800 2.052 2.052 2.052 . 0 0 "[ ]" 1
585 3 56 GLN QB 3 57 MET H 2.300 . 3.800 2.884 2.884 2.884 . 0 0 "[ ]" 1
586 3 56 GLN QG 3 57 MET H 2.900 . 5.000 3.698 3.698 3.698 . 0 0 "[ ]" 1
587 3 56 GLN QB 3 58 LEU HA 2.300 . 7.800 7.134 7.134 7.134 . 0 0 "[ ]" 1
588 3 56 GLN QG 3 61 GLN H 2.900 . 6.000 6.016 6.016 6.016 0.016 1 0 "[ ]" 1
589 3 56 GLN H 3 57 MET H 2.300 . 2.800 2.451 2.451 2.451 . 0 0 "[ ]" 1
590 3 56 GLN HA 3 57 MET H 3.400 . 8.400 3.499 3.499 3.499 . 0 0 "[ ]" 1
591 3 56 GLN HA 3 58 LEU H 2.900 . 4.000 4.030 4.030 4.030 0.030 1 0 "[ ]" 1
592 3 56 GLN HA 3 59 GLU H 2.900 . 4.000 3.027 3.027 3.027 . 0 0 "[ ]" 1
593 3 56 GLN HA 3 60 LYS H 2.900 . 4.500 4.496 4.496 4.496 . 0 0 "[ ]" 1
594 3 57 MET H 3 57 MET HA 2.900 . 4.000 2.880 2.880 2.880 . 0 0 "[ ]" 1
595 3 57 MET H 3 57 MET QB 2.300 . 3.800 2.136 2.136 2.136 . 0 0 "[ ]" 1
596 3 57 MET H 3 57 MET QG 2.300 . 3.800 3.872 3.872 3.872 0.072 1 0 "[ ]" 1
597 3 57 MET HA 3 57 MET QB 2.300 . 3.800 2.325 2.325 2.325 . 0 0 "[ ]" 1
598 3 57 MET HA 3 57 MET QG 2.300 . 3.800 2.436 2.436 2.436 . 0 0 "[ ]" 1
599 3 57 MET QB 3 57 MET QG 2.300 . 4.800 2.079 2.079 2.079 . 0 0 "[ ]" 1
600 3 57 MET QB 3 57 MET ME 2.900 . 5.300 3.544 3.544 3.544 . 0 0 "[ ]" 1
601 3 57 MET ME 3 57 MET QG 2.900 . 5.300 2.161 2.161 2.161 . 0 0 "[ ]" 1
602 3 57 MET HA 3 58 LEU H 3.400 . 5.000 3.518 3.518 3.518 . 0 0 "[ ]" 1
603 3 57 MET QB 3 58 LEU QD 3.400 . 8.400 4.488 4.488 4.488 . 0 0 "[ ]" 1
604 3 57 MET QG 3 58 LEU QD 3.400 . 8.400 3.810 3.810 3.810 . 0 0 "[ ]" 1
605 3 57 MET H 3 58 LEU H 2.300 . 2.800 2.550 2.550 2.550 . 0 0 "[ ]" 1
606 3 57 MET QB 3 58 LEU H 2.900 . 5.000 2.696 2.696 2.696 . 0 0 "[ ]" 1
607 3 57 MET HA 3 59 GLU H 2.900 . 4.000 4.029 4.029 4.029 0.029 1 0 "[ ]" 1
608 3 57 MET HA 3 60 LYS H 2.900 . 4.000 4.020 4.020 4.020 0.020 1 0 "[ ]" 1
609 3 58 LEU H 3 58 LEU HA 2.300 . 2.800 2.942 2.942 2.942 0.142 1 0 "[ ]" 1
610 3 58 LEU H 3 58 LEU QB 2.300 . 3.800 2.229 2.229 2.229 . 0 0 "[ ]" 1
611 3 58 LEU HA 3 58 LEU QB 2.300 . 3.800 2.437 2.437 2.437 . 0 0 "[ ]" 1
612 3 58 LEU HA 3 58 LEU QD 2.300 . 5.200 2.092 2.092 2.092 . 0 0 "[ ]" 1
613 3 58 LEU QB 3 58 LEU QD 2.300 . 6.200 1.862 1.862 1.862 . 0 0 "[ ]" 1
614 3 58 LEU H 3 58 LEU QD 3.400 . 7.400 3.620 3.620 3.620 . 0 0 "[ ]" 1
615 3 58 LEU HA 3 59 GLU H 2.300 . 3.800 3.422 3.422 3.422 . 0 0 "[ ]" 1
616 3 58 LEU QB 3 59 GLU H 2.900 . 5.000 3.052 3.052 3.052 . 0 0 "[ ]" 1
617 3 58 LEU H 3 59 GLU H 2.300 . 2.800 2.298 2.298 2.298 . 0 0 "[ ]" 1
618 3 58 LEU HA 3 61 GLN H 2.300 . 2.800 2.895 2.895 2.895 0.095 1 0 "[ ]" 1
619 3 58 LEU HA 3 62 LYS H 2.300 . 2.800 2.856 2.856 2.856 0.056 1 0 "[ ]" 1
620 3 58 LEU QD 3 59 GLU H 3.400 . 7.400 4.277 4.277 4.277 . 0 0 "[ ]" 1
621 3 59 GLU H 3 59 GLU HA 2.900 . 4.000 2.883 2.883 2.883 . 0 0 "[ ]" 1
622 3 59 GLU H 3 59 GLU QB 2.300 . 3.800 2.022 2.022 2.022 . 0 0 "[ ]" 1
623 3 59 GLU HA 3 59 GLU QB 2.300 . 3.800 2.517 2.517 2.517 . 0 0 "[ ]" 1
624 3 59 GLU QB 3 59 GLU QG 2.300 . 4.800 2.059 2.059 2.059 . 0 0 "[ ]" 1
625 3 59 GLU HA 3 59 GLU QG 3.400 . 6.000 2.001 2.001 2.001 . 0 0 "[ ]" 1
626 3 59 GLU QB 3 60 LYS H 2.300 . 3.800 2.501 2.501 2.501 . 0 0 "[ ]" 1
627 3 59 GLU H 3 60 LYS H 2.300 . 2.800 2.594 2.594 2.594 . 0 0 "[ ]" 1
628 3 59 GLU HA 3 60 LYS H 2.900 . 4.000 3.552 3.552 3.552 . 0 0 "[ ]" 1
629 3 60 LYS H 3 60 LYS QB 2.300 . 3.800 2.193 2.193 2.193 . 0 0 "[ ]" 1
630 3 60 LYS HA 3 60 LYS QB 2.300 . 3.800 2.441 2.441 2.441 . 0 0 "[ ]" 1
631 3 60 LYS H 3 60 LYS HA 2.900 . 4.000 2.962 2.962 2.962 . 0 0 "[ ]" 1
632 3 60 LYS H 3 61 GLN H 2.300 . 2.800 2.287 2.287 2.287 . 0 0 "[ ]" 1
633 3 60 LYS H 3 63 LYS HA 2.300 . 4.300 4.325 4.325 4.325 0.025 1 0 "[ ]" 1
634 3 61 GLN H 3 61 GLN QB 2.300 . 3.800 2.105 2.105 2.105 . 0 0 "[ ]" 1
635 3 61 GLN HA 3 61 GLN QB 2.300 . 3.800 2.494 2.494 2.494 . 0 0 "[ ]" 1
636 3 61 GLN QB 3 61 GLN QG 2.300 . 4.800 2.047 2.047 2.047 . 0 0 "[ ]" 1
637 3 61 GLN H 3 63 LYS HA 2.300 . 3.800 3.962 3.962 3.962 0.162 1 0 "[ ]" 1
638 3 62 LYS H 3 62 LYS HA 2.300 . 2.800 2.873 2.873 2.873 0.073 1 0 "[ ]" 1
639 3 62 LYS HA 3 63 LYS H 2.900 . 4.000 3.392 3.392 3.392 . 0 0 "[ ]" 1
640 3 62 LYS H 3 63 LYS H 2.900 . 4.000 2.533 2.533 2.533 . 0 0 "[ ]" 1
641 3 63 LYS H 3 63 LYS HA 2.300 . 2.800 2.332 2.332 2.332 . 0 0 "[ ]" 1
642 3 63 LYS H 3 63 LYS QB 2.300 . 3.800 2.900 2.900 2.900 . 0 0 "[ ]" 1
643 3 63 LYS HA 3 63 LYS QB 2.300 . 3.800 2.375 2.375 2.375 . 0 0 "[ ]" 1
644 3 63 LYS HA 3 63 LYS QG 2.300 . 3.800 2.460 2.460 2.460 . 0 0 "[ ]" 1
645 3 63 LYS QB 3 63 LYS QG 2.300 . 4.800 2.096 2.096 2.096 . 0 0 "[ ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 645
_Distance_constraint_stats_list.Viol_count 70
_Distance_constraint_stats_list.Viol_total 9.873
_Distance_constraint_stats_list.Viol_max 2.952
_Distance_constraint_stats_list.Viol_rms 0.1282
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0153
_Distance_constraint_stats_list.Viol_average_violations_only 0.1410
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
4 1 ALA 0.127 0.075 1 0 "[ ]"
4 2 THR 1.136 0.559 1 1 [+]
4 3 VAL 0.909 0.559 1 1 [+]
4 4 LYS 0.135 0.073 1 0 "[ ]"
4 5 PHE 0.214 0.073 1 0 "[ ]"
4 6 LYS 0.051 0.049 1 0 "[ ]"
4 7 TYR 0.010 0.007 1 0 "[ ]"
4 8 LYS 0.169 0.169 1 0 "[ ]"
4 9 GLY 0.000 0.000 . 0 "[ ]"
4 10 GLU 0.007 0.007 1 0 "[ ]"
4 11 GLU 0.000 0.000 . 0 "[ ]"
4 12 LYS 0.148 0.148 1 0 "[ ]"
4 13 GLN 0.019 0.013 1 0 "[ ]"
4 14 VAL 0.241 0.127 1 0 "[ ]"
4 15 ASP 0.527 0.400 1 0 "[ ]"
4 16 ILE 0.845 0.598 1 1 [+]
4 17 SER 0.073 0.073 1 0 "[ ]"
4 18 LYS 0.000 0.000 . 0 "[ ]"
4 19 ILE 0.085 0.042 1 0 "[ ]"
4 20 LYS 0.039 0.039 1 0 "[ ]"
4 21 LYS 0.074 0.038 1 0 "[ ]"
4 22 VAL 0.181 0.061 1 0 "[ ]"
4 23 TRP 0.220 0.124 1 0 "[ ]"
4 24 ARG 0.227 0.186 1 0 "[ ]"
4 25 VAL 0.567 0.567 1 1 [+]
4 26 GLY 0.000 0.000 . 0 "[ ]"
4 27 LYS 3.081 2.952 1 1 [+]
4 28 MET 1.328 0.578 1 1 [+]
4 29 ILE 0.786 0.578 1 1 [+]
4 30 SER 0.064 0.057 1 0 "[ ]"
4 31 PHE 0.426 0.334 1 0 "[ ]"
4 32 THR 0.036 0.036 1 0 "[ ]"
4 33 TYR 0.042 0.042 1 0 "[ ]"
4 34 ASP 0.010 0.010 1 0 "[ ]"
4 35 GLU 0.000 0.000 . 0 "[ ]"
4 36 GLY 0.000 0.000 . 0 "[ ]"
4 37 GLY 0.000 0.000 . 0 "[ ]"
4 38 GLY 0.000 0.000 . 0 "[ ]"
4 39 LYS 0.023 0.023 1 0 "[ ]"
4 40 THR 0.000 0.000 . 0 "[ ]"
4 41 GLY 0.023 0.023 1 0 "[ ]"
4 42 ARG 0.170 0.138 1 0 "[ ]"
4 43 GLY 0.138 0.138 1 0 "[ ]"
4 44 ALA 0.334 0.334 1 0 "[ ]"
4 45 VAL 0.175 0.175 1 0 "[ ]"
4 46 SER 0.232 0.128 1 0 "[ ]"
4 47 GLU 3.112 2.952 1 1 [+]
4 48 LYS 0.000 0.000 . 0 "[ ]"
4 49 ASP 0.151 0.107 1 0 "[ ]"
4 50 ALA 0.000 0.000 . 0 "[ ]"
4 51 PRO 0.000 0.000 . 0 "[ ]"
4 52 LYS 0.000 0.000 . 0 "[ ]"
4 53 GLU 0.000 0.000 . 0 "[ ]"
4 54 LEU 0.203 0.170 1 0 "[ ]"
4 55 LEU 0.031 0.031 1 0 "[ ]"
4 56 GLN 0.044 0.029 1 0 "[ ]"
4 57 MET 0.191 0.071 1 0 "[ ]"
4 58 LEU 0.356 0.142 1 0 "[ ]"
4 59 GLU 0.029 0.029 1 0 "[ ]"
4 60 LYS 0.047 0.025 1 0 "[ ]"
4 61 GLN 0.271 0.160 1 0 "[ ]"
4 62 LYS 0.130 0.074 1 0 "[ ]"
4 63 LYS 0.186 0.160 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 4 1 ALA HA 4 2 THR H 2.900 . 4.000 3.173 3.173 3.173 . 0 0 "[ ]" 2
2 4 1 ALA MB 4 2 THR MG 3.400 . 5.600 5.321 5.321 5.321 . 0 0 "[ ]" 2
3 4 1 ALA HA 4 3 VAL MG1 3.400 . 5.300 5.375 5.375 5.375 0.075 1 0 "[ ]" 2
4 4 1 ALA MB 4 16 ILE MG 3.400 . 5.600 5.206 5.206 5.206 . 0 0 "[ ]" 2
5 4 1 ALA MB 4 16 ILE MD 2.900 . 4.600 4.652 4.652 4.652 0.052 1 0 "[ ]" 2
6 4 1 ALA MB 4 2 THR H 3.400 . 5.300 3.457 3.457 3.457 . 0 0 "[ ]" 2
7 4 1 ALA MB 4 51 PRO QB 3.400 . 7.000 5.750 5.750 5.750 . 0 0 "[ ]" 2
8 4 1 ALA MB 4 53 GLU HG2 3.400 . 6.000 5.881 5.881 5.881 . 0 0 "[ ]" 2
9 4 1 ALA MB 4 53 GLU QB 3.400 . 6.000 5.940 5.940 5.940 . 0 0 "[ ]" 2
10 4 2 THR H 4 2 THR HA 2.900 . 4.000 2.924 2.924 2.924 . 0 0 "[ ]" 2
11 4 2 THR H 4 2 THR HB 3.400 . 5.000 2.215 2.215 2.215 . 0 0 "[ ]" 2
12 4 2 THR HA 4 2 THR HB 2.300 . 2.800 2.946 2.946 2.946 0.146 1 0 "[ ]" 2
13 4 2 THR HA 4 2 THR MG 3.400 . 5.300 2.656 2.656 2.656 . 0 0 "[ ]" 2
14 4 2 THR H 4 2 THR MG 3.400 . 5.300 3.590 3.590 3.590 . 0 0 "[ ]" 2
15 4 2 THR HA 4 3 VAL H 2.300 . 2.800 3.359 3.359 3.359 0.559 1 1 [+] 2
16 4 2 THR HB 4 3 VAL H 2.900 . 4.000 2.779 2.779 2.779 . 0 0 "[ ]" 2
17 4 2 THR MG 4 3 VAL HA 3.400 . 7.300 3.687 3.687 3.687 . 0 0 "[ ]" 2
18 4 2 THR MG 4 3 VAL HB 3.400 . 6.300 2.369 2.369 2.369 . 0 0 "[ ]" 2
19 4 2 THR HA 4 15 ASP HA 2.300 . 2.800 3.200 3.200 3.200 0.400 1 0 "[ ]" 2
20 4 2 THR MG 4 16 ILE HA 3.400 . 5.300 2.626 2.626 2.626 . 0 0 "[ ]" 2
21 4 2 THR MG 4 16 ILE HB 3.400 . 5.300 3.676 3.676 3.676 . 0 0 "[ ]" 2
22 4 2 THR MG 4 16 ILE MG 3.400 . 5.600 1.769 1.769 1.769 0.031 1 0 "[ ]" 2
23 4 2 THR HB 4 14 VAL H 3.400 . 5.000 4.463 4.463 4.463 . 0 0 "[ ]" 2
24 4 2 THR HA 4 15 ASP QB 2.900 . 5.000 4.461 4.461 4.461 . 0 0 "[ ]" 2
25 4 2 THR H 4 3 VAL HA 2.300 . 5.300 4.821 4.821 4.821 . 0 0 "[ ]" 2
26 4 2 THR HB 4 16 ILE HB 3.400 . 6.000 5.211 5.211 5.211 . 0 0 "[ ]" 2
27 4 2 THR MG 4 16 ILE H 3.400 . 6.000 3.118 3.118 3.118 . 0 0 "[ ]" 2
28 4 2 THR HB 4 13 GLN QG 3.400 . 6.000 5.009 5.009 5.009 . 0 0 "[ ]" 2
29 4 2 THR MG 4 13 GLN QG 3.400 . 7.000 5.290 5.290 5.290 . 0 0 "[ ]" 2
30 4 2 THR H 4 3 VAL H 2.900 . 4.000 2.021 2.021 2.021 . 0 0 "[ ]" 2
31 4 2 THR HA 4 3 VAL MG1 3.400 . 5.300 4.467 4.467 4.467 . 0 0 "[ ]" 2
32 4 2 THR HA 4 3 VAL MG2 3.400 . 6.300 5.847 5.847 5.847 . 0 0 "[ ]" 2
33 4 2 THR MG 4 3 VAL H 3.400 . 5.300 3.047 3.047 3.047 . 0 0 "[ ]" 2
34 4 2 THR HB 4 15 ASP HA 2.300 . 2.800 1.829 1.829 1.829 . 0 0 "[ ]" 2
35 4 2 THR MG 4 15 ASP HA 2.900 . 4.300 3.481 3.481 3.481 . 0 0 "[ ]" 2
36 4 3 VAL H 4 3 VAL HB 2.900 . 4.000 3.278 3.278 3.278 . 0 0 "[ ]" 2
37 4 3 VAL HA 4 3 VAL HB 2.300 . 2.800 2.436 2.436 2.436 . 0 0 "[ ]" 2
38 4 3 VAL H 4 3 VAL HA 2.900 . 4.000 2.978 2.978 2.978 . 0 0 "[ ]" 2
39 4 3 VAL H 4 3 VAL MG1 3.400 . 5.300 1.850 1.850 1.850 . 0 0 "[ ]" 2
40 4 3 VAL H 4 3 VAL MG2 3.400 . 5.300 3.872 3.872 3.872 . 0 0 "[ ]" 2
41 4 3 VAL HB 4 3 VAL MG1 2.300 . 3.100 2.127 2.127 2.127 . 0 0 "[ ]" 2
42 4 3 VAL HA 4 3 VAL MG1 2.900 . 4.300 3.173 3.173 3.173 . 0 0 "[ ]" 2
43 4 3 VAL HA 4 3 VAL MG2 2.900 . 4.300 2.343 2.343 2.343 . 0 0 "[ ]" 2
44 4 3 VAL HA 4 4 LYS H 2.900 . 4.000 2.392 2.392 2.392 . 0 0 "[ ]" 2
45 4 3 VAL HB 4 4 LYS H 2.900 . 4.000 3.905 3.905 3.905 . 0 0 "[ ]" 2
46 4 3 VAL HB 4 14 VAL H 2.900 . 5.000 5.044 5.044 5.044 0.044 1 0 "[ ]" 2
47 4 3 VAL HB 4 14 VAL QG 3.400 . 7.400 4.207 4.207 4.207 . 0 0 "[ ]" 2
48 4 3 VAL MG2 4 14 VAL HB 3.400 . 6.300 6.340 6.340 6.340 0.040 1 0 "[ ]" 2
49 4 3 VAL MG1 4 14 VAL MG2 3.400 . 6.100 3.485 3.485 3.485 . 0 0 "[ ]" 2
50 4 3 VAL MG1 4 19 ILE MD 3.400 . 5.600 1.782 1.782 1.782 0.018 1 0 "[ ]" 2
51 4 3 VAL MG2 4 19 ILE MD 3.400 . 5.600 3.831 3.831 3.831 . 0 0 "[ ]" 2
52 4 3 VAL MG2 4 22 VAL QG 3.400 . 7.700 5.073 5.073 5.073 . 0 0 "[ ]" 2
53 4 3 VAL QG 4 22 VAL HB 3.400 . 7.400 5.795 5.795 5.795 . 0 0 "[ ]" 2
54 4 3 VAL H 4 14 VAL H 2.300 . 2.800 2.724 2.724 2.724 . 0 0 "[ ]" 2
55 4 3 VAL H 4 15 ASP HA 2.300 . 4.800 3.585 3.585 3.585 . 0 0 "[ ]" 2
56 4 3 VAL QG 4 55 LEU QB 3.400 . 9.000 7.385 7.385 7.385 . 0 0 "[ ]" 2
57 4 3 VAL H 4 16 ILE HA 3.400 . 6.000 6.135 6.135 6.135 0.135 1 0 "[ ]" 2
58 4 3 VAL H 4 16 ILE H 3.400 . 6.000 5.500 5.500 5.500 . 0 0 "[ ]" 2
59 4 3 VAL QG 4 31 PHE QE 3.400 . 8.000 1.762 1.762 1.762 0.038 1 0 "[ ]" 2
60 4 3 VAL QG 4 31 PHE QD 2.900 . 8.400 2.629 2.629 2.629 . 0 0 "[ ]" 2
61 4 3 VAL QG 4 45 VAL HB 3.400 . 7.000 1.869 1.869 1.869 . 0 0 "[ ]" 2
62 4 3 VAL QG 4 45 VAL QG 3.400 . 6.000 1.828 1.828 1.828 . 0 0 "[ ]" 2
63 4 3 VAL HB 4 50 ALA MB 3.400 . 7.000 2.913 2.913 2.913 . 0 0 "[ ]" 2
64 4 3 VAL QG 4 51 PRO QB 3.400 . 6.000 5.997 5.997 5.997 . 0 0 "[ ]" 2
65 4 3 VAL MG1 4 4 LYS H 3.400 . 5.300 3.642 3.642 3.642 . 0 0 "[ ]" 2
66 4 3 VAL MG2 4 4 LYS H 3.400 . 5.300 1.829 1.829 1.829 . 0 0 "[ ]" 2
67 4 3 VAL MG1 4 14 VAL H 3.400 . 5.300 2.453 2.453 2.453 . 0 0 "[ ]" 2
68 4 3 VAL MG2 4 14 VAL H 3.400 . 5.300 4.309 4.309 4.309 . 0 0 "[ ]" 2
69 4 4 LYS H 4 4 LYS HB3 2.900 . 4.000 3.889 3.889 3.889 . 0 0 "[ ]" 2
70 4 4 LYS H 4 4 LYS HB2 2.900 . 4.000 3.264 3.264 3.264 . 0 0 "[ ]" 2
71 4 4 LYS HA 4 4 LYS HB3 2.900 . 4.000 2.269 2.269 2.269 . 0 0 "[ ]" 2
72 4 4 LYS HA 4 4 LYS HB2 2.900 . 4.000 2.928 2.928 2.928 . 0 0 "[ ]" 2
73 4 4 LYS HA 4 4 LYS QG 3.400 . 6.000 2.896 2.896 2.896 . 0 0 "[ ]" 2
74 4 4 LYS H 4 4 LYS QG 2.300 . 3.800 2.372 2.372 2.372 . 0 0 "[ ]" 2
75 4 4 LYS HB3 4 4 LYS QG 2.300 . 3.800 2.446 2.446 2.446 . 0 0 "[ ]" 2
76 4 4 LYS HB2 4 4 LYS QG 2.300 . 3.800 2.295 2.295 2.295 . 0 0 "[ ]" 2
77 4 4 LYS HA 4 5 PHE H 2.900 . 4.000 2.478 2.478 2.478 . 0 0 "[ ]" 2
78 4 4 LYS HB3 4 5 PHE H 2.300 . 2.800 2.863 2.863 2.863 0.063 1 0 "[ ]" 2
79 4 4 LYS HB2 4 5 PHE H 2.300 . 2.800 2.873 2.873 2.873 0.073 1 0 "[ ]" 2
80 4 4 LYS HA 4 13 GLN HA 2.900 . 4.000 2.092 2.092 2.092 . 0 0 "[ ]" 2
81 4 4 LYS HA 4 13 GLN QG 3.400 . 6.000 2.906 2.906 2.906 . 0 0 "[ ]" 2
82 4 4 LYS QG 4 13 GLN QG 2.300 . 4.800 1.847 1.847 1.847 . 0 0 "[ ]" 2
83 4 4 LYS H 4 13 GLN QG 3.400 . 6.000 4.047 4.047 4.047 . 0 0 "[ ]" 2
84 4 4 LYS QG 4 45 VAL QG 3.400 . 7.000 5.170 5.170 5.170 . 0 0 "[ ]" 2
85 4 4 LYS HA 4 5 PHE QD 2.900 . 6.000 2.774 2.774 2.774 . 0 0 "[ ]" 2
86 4 4 LYS HA 4 14 VAL H 2.900 . 4.000 3.793 3.793 3.793 . 0 0 "[ ]" 2
87 4 5 PHE H 4 5 PHE HA 2.900 . 4.000 2.862 2.862 2.862 . 0 0 "[ ]" 2
88 4 5 PHE HA 4 5 PHE HB3 2.300 . 2.800 2.584 2.584 2.584 . 0 0 "[ ]" 2
89 4 5 PHE HA 4 5 PHE HB2 2.900 . 4.000 2.386 2.386 2.386 . 0 0 "[ ]" 2
90 4 5 PHE HB3 4 5 PHE QD 2.900 . 6.000 2.509 2.509 2.509 . 0 0 "[ ]" 2
91 4 5 PHE HB2 4 5 PHE QD 2.900 . 6.000 2.338 2.338 2.338 . 0 0 "[ ]" 2
92 4 5 PHE H 4 5 PHE QD 2.300 . 4.800 2.734 2.734 2.734 . 0 0 "[ ]" 2
93 4 5 PHE HA 4 5 PHE QD 2.900 . 6.000 3.702 3.702 3.702 . 0 0 "[ ]" 2
94 4 5 PHE HA 4 6 LYS H 2.300 . 2.800 2.849 2.849 2.849 0.049 1 0 "[ ]" 2
95 4 5 PHE HB3 4 6 LYS H 2.900 . 4.000 3.525 3.525 3.525 . 0 0 "[ ]" 2
96 4 5 PHE HB2 4 6 LYS H 2.900 . 4.000 2.073 2.073 2.073 . 0 0 "[ ]" 2
97 4 5 PHE H 4 13 GLN QG 2.300 . 4.800 4.813 4.813 4.813 0.013 1 0 "[ ]" 2
98 4 5 PHE HA 4 45 VAL QG 3.400 . 7.400 4.607 4.607 4.607 . 0 0 "[ ]" 2
99 4 5 PHE HB3 4 45 VAL MG1 2.900 . 4.300 2.459 2.459 2.459 . 0 0 "[ ]" 2
100 4 5 PHE HB2 4 45 VAL MG1 2.900 . 4.300 3.580 3.580 3.580 . 0 0 "[ ]" 2
101 4 5 PHE HA 4 49 ASP HA 3.400 . 5.000 5.011 5.011 5.011 0.011 1 0 "[ ]" 2
102 4 5 PHE HA 4 6 LYS QB 3.400 . 6.000 3.779 3.779 3.779 . 0 0 "[ ]" 2
103 4 5 PHE H 4 12 LYS H 2.900 . 4.000 2.782 2.782 2.782 . 0 0 "[ ]" 2
104 4 5 PHE QE 4 14 VAL HB 3.400 . 6.000 5.319 5.319 5.319 . 0 0 "[ ]" 2
105 4 5 PHE QD 4 7 TYR HA 3.400 . 6.000 4.105 4.105 4.105 . 0 0 "[ ]" 2
106 4 5 PHE QD 4 7 TYR QB 3.400 . 6.000 3.138 3.138 3.138 . 0 0 "[ ]" 2
107 4 5 PHE QE 4 7 TYR QE 3.400 . 6.000 5.738 5.738 5.738 . 0 0 "[ ]" 2
108 4 5 PHE QD 4 45 VAL QG 3.400 . 7.000 3.291 3.291 3.291 . 0 0 "[ ]" 2
109 4 5 PHE QD 4 7 TYR QD 2.300 . 6.800 4.851 4.851 4.851 . 0 0 "[ ]" 2
110 4 5 PHE QD 4 7 TYR QE 2.900 . 8.000 6.940 6.940 6.940 . 0 0 "[ ]" 2
111 4 5 PHE QD 4 31 PHE HZ 2.900 . 6.000 2.926 2.926 2.926 . 0 0 "[ ]" 2
112 4 5 PHE QD 4 31 PHE QE 2.900 . 8.000 3.204 3.204 3.204 . 0 0 "[ ]" 2
113 4 5 PHE QE 4 33 TYR QE 2.300 . 6.800 2.285 2.285 2.285 . 0 0 "[ ]" 2
114 4 5 PHE H 4 13 GLN HA 2.900 . 4.000 4.006 4.006 4.006 0.006 1 0 "[ ]" 2
115 4 5 PHE QD 4 13 GLN HA 2.900 . 6.000 3.560 3.560 3.560 . 0 0 "[ ]" 2
116 4 6 LYS H 4 6 LYS HA 2.900 . 4.000 2.937 2.937 2.937 . 0 0 "[ ]" 2
117 4 6 LYS H 4 6 LYS QB 2.300 . 3.800 2.756 2.756 2.756 . 0 0 "[ ]" 2
118 4 6 LYS HA 4 6 LYS QB 2.300 . 3.800 2.400 2.400 2.400 . 0 0 "[ ]" 2
119 4 6 LYS HA 4 6 LYS QG 3.400 . 6.000 2.351 2.351 2.351 . 0 0 "[ ]" 2
120 4 6 LYS QB 4 6 LYS QG 2.300 . 4.800 2.108 2.108 2.108 . 0 0 "[ ]" 2
121 4 6 LYS HA 4 7 TYR H 2.900 . 4.000 2.225 2.225 2.225 . 0 0 "[ ]" 2
122 4 6 LYS QB 4 7 TYR H 2.300 . 3.800 3.803 3.803 3.803 0.003 1 0 "[ ]" 2
123 4 6 LYS HA 4 11 GLU HA 3.400 . 5.000 2.510 2.510 2.510 . 0 0 "[ ]" 2
124 4 6 LYS HA 4 12 LYS H 3.400 . 5.000 3.482 3.482 3.482 . 0 0 "[ ]" 2
125 4 7 TYR HA 4 7 TYR HB3 2.900 . 4.000 3.029 3.029 3.029 . 0 0 "[ ]" 2
126 4 7 TYR HA 4 7 TYR HB2 2.900 . 4.000 2.396 2.396 2.396 . 0 0 "[ ]" 2
127 4 7 TYR HA 4 7 TYR QD 2.900 . 6.000 2.961 2.961 2.961 . 0 0 "[ ]" 2
128 4 7 TYR H 4 7 TYR HB3 2.900 . 4.000 2.480 2.480 2.480 . 0 0 "[ ]" 2
129 4 7 TYR H 4 7 TYR HB2 2.900 . 4.000 3.224 3.224 3.224 . 0 0 "[ ]" 2
130 4 7 TYR HA 4 8 LYS HA 3.400 . 5.000 4.535 4.535 4.535 . 0 0 "[ ]" 2
131 4 7 TYR HA 4 8 LYS H 2.900 . 4.000 2.244 2.244 2.244 . 0 0 "[ ]" 2
132 4 7 TYR H 4 10 GLU H 2.300 . 2.800 2.807 2.807 2.807 0.007 1 0 "[ ]" 2
133 4 7 TYR H 4 8 LYS H 3.400 . 5.000 4.412 4.412 4.412 . 0 0 "[ ]" 2
134 4 7 TYR QD 4 8 LYS H 3.400 . 7.000 3.489 3.489 3.489 . 0 0 "[ ]" 2
135 4 7 TYR H 4 9 GLY H 2.900 . 4.000 3.601 3.601 3.601 . 0 0 "[ ]" 2
136 4 8 LYS HA 4 8 LYS HB3 2.300 . 2.800 2.969 2.969 2.969 0.169 1 0 "[ ]" 2
137 4 8 LYS HA 4 8 LYS HB2 2.900 . 4.000 2.663 2.663 2.663 . 0 0 "[ ]" 2
138 4 8 LYS HA 4 8 LYS QG 2.900 . 5.000 2.237 2.237 2.237 . 0 0 "[ ]" 2
139 4 8 LYS HA 4 8 LYS QD 2.900 . 5.000 3.950 3.950 3.950 . 0 0 "[ ]" 2
140 4 8 LYS H 4 8 LYS HA 2.300 . 2.800 2.369 2.369 2.369 . 0 0 "[ ]" 2
141 4 8 LYS H 4 8 LYS HB3 3.400 . 5.000 3.799 3.799 3.799 . 0 0 "[ ]" 2
142 4 8 LYS H 4 8 LYS HB2 3.400 . 5.000 3.051 3.051 3.051 . 0 0 "[ ]" 2
143 4 8 LYS HA 4 9 GLY H 2.900 . 4.000 3.584 3.584 3.584 . 0 0 "[ ]" 2
144 4 8 LYS QD 4 9 GLY QA 2.900 . 6.000 4.768 4.768 4.768 . 0 0 "[ ]" 2
145 4 8 LYS H 4 9 GLY H 2.900 . 4.000 3.670 3.670 3.670 . 0 0 "[ ]" 2
146 4 9 GLY H 4 9 GLY QA 2.300 . 3.800 2.530 2.530 2.530 . 0 0 "[ ]" 2
147 4 9 GLY QA 4 10 GLU H 2.900 . 5.000 2.787 2.787 2.787 . 0 0 "[ ]" 2
148 4 9 GLY H 4 10 GLU H 2.300 . 2.800 1.868 1.868 1.868 . 0 0 "[ ]" 2
149 4 10 GLU H 4 10 GLU HA 2.900 . 4.000 2.984 2.984 2.984 . 0 0 "[ ]" 2
150 4 10 GLU H 4 10 GLU QB 2.300 . 3.800 2.623 2.623 2.623 . 0 0 "[ ]" 2
151 4 10 GLU HA 4 10 GLU QB 2.300 . 3.800 2.466 2.466 2.466 . 0 0 "[ ]" 2
152 4 10 GLU QB 4 10 GLU QG 2.300 . 4.800 2.050 2.050 2.050 . 0 0 "[ ]" 2
153 4 10 GLU HA 4 11 GLU H 2.300 . 2.800 2.228 2.228 2.228 . 0 0 "[ ]" 2
154 4 10 GLU QB 4 11 GLU H 2.300 . 3.800 3.700 3.700 3.700 . 0 0 "[ ]" 2
155 4 11 GLU H 4 11 GLU QB 2.300 . 3.800 2.035 2.035 2.035 . 0 0 "[ ]" 2
156 4 11 GLU H 4 11 GLU QG 2.300 . 3.800 2.956 2.956 2.956 . 0 0 "[ ]" 2
157 4 11 GLU HA 4 11 GLU QB 2.300 . 3.800 2.505 2.505 2.505 . 0 0 "[ ]" 2
158 4 11 GLU HA 4 11 GLU QG 2.300 . 3.800 1.999 1.999 1.999 . 0 0 "[ ]" 2
159 4 11 GLU H 4 11 GLU HA 2.900 . 4.000 2.926 2.926 2.926 . 0 0 "[ ]" 2
160 4 11 GLU QB 4 12 LYS H 2.300 . 3.800 3.009 3.009 3.009 . 0 0 "[ ]" 2
161 4 11 GLU QG 4 12 LYS H 2.300 . 3.800 3.703 3.703 3.703 . 0 0 "[ ]" 2
162 4 11 GLU HA 4 12 LYS H 2.300 . 2.800 2.299 2.299 2.299 . 0 0 "[ ]" 2
163 4 12 LYS H 4 12 LYS HA 2.300 . 2.800 2.948 2.948 2.948 0.148 1 0 "[ ]" 2
164 4 12 LYS HA 4 13 GLN H 2.900 . 4.000 2.311 2.311 2.311 . 0 0 "[ ]" 2
165 4 12 LYS QB 4 13 GLN H 3.400 . 6.000 2.917 2.917 2.917 . 0 0 "[ ]" 2
166 4 12 LYS QG 4 13 GLN H 3.400 . 6.000 4.350 4.350 4.350 . 0 0 "[ ]" 2
167 4 13 GLN H 4 13 GLN QG 2.900 . 5.000 4.121 4.121 4.121 . 0 0 "[ ]" 2
168 4 13 GLN HA 4 13 GLN QG 2.900 . 5.000 2.441 2.441 2.441 . 0 0 "[ ]" 2
169 4 13 GLN H 4 13 GLN QB 2.900 . 5.000 2.629 2.629 2.629 . 0 0 "[ ]" 2
170 4 13 GLN HA 4 14 VAL H 3.400 . 5.000 2.295 2.295 2.295 . 0 0 "[ ]" 2
171 4 13 GLN QG 4 45 VAL QG 3.400 . 9.400 5.798 5.798 5.798 . 0 0 "[ ]" 2
172 4 14 VAL H 4 14 VAL HB 2.300 . 3.800 3.435 3.435 3.435 . 0 0 "[ ]" 2
173 4 14 VAL HA 4 14 VAL HB 2.900 . 4.000 2.362 2.362 2.362 . 0 0 "[ ]" 2
174 4 14 VAL HA 4 14 VAL MG1 2.300 . 4.100 3.158 3.158 3.158 . 0 0 "[ ]" 2
175 4 14 VAL HA 4 14 VAL MG2 2.900 . 4.300 2.471 2.471 2.471 . 0 0 "[ ]" 2
176 4 14 VAL H 4 14 VAL MG1 3.400 . 5.300 1.872 1.872 1.872 . 0 0 "[ ]" 2
177 4 14 VAL H 4 14 VAL MG2 3.400 . 5.300 3.794 3.794 3.794 . 0 0 "[ ]" 2
178 4 14 VAL HB 4 14 VAL MG2 2.300 . 3.100 2.118 2.118 2.118 . 0 0 "[ ]" 2
179 4 14 VAL HA 4 15 ASP H 2.900 . 4.000 2.269 2.269 2.269 . 0 0 "[ ]" 2
180 4 14 VAL HA 4 15 ASP QB 2.300 . 4.800 4.301 4.301 4.301 . 0 0 "[ ]" 2
181 4 14 VAL HB 4 15 ASP H 2.300 . 3.800 3.927 3.927 3.927 0.127 1 0 "[ ]" 2
182 4 14 VAL HB 4 15 ASP QB 2.300 . 6.300 6.072 6.072 6.072 . 0 0 "[ ]" 2
183 4 14 VAL MG2 4 15 ASP QB 3.400 . 6.300 3.958 3.958 3.958 . 0 0 "[ ]" 2
184 4 14 VAL MG2 4 19 ILE MD 3.400 . 5.600 2.808 2.808 2.808 . 0 0 "[ ]" 2
185 4 14 VAL MG2 4 19 ILE QG 3.400 . 6.300 1.943 1.943 1.943 . 0 0 "[ ]" 2
186 4 14 VAL HB 4 33 TYR HA 2.900 . 6.000 5.032 5.032 5.032 . 0 0 "[ ]" 2
187 4 14 VAL MG2 4 33 TYR QD 3.400 . 7.300 2.912 2.912 2.912 . 0 0 "[ ]" 2
188 4 14 VAL HB 4 34 ASP HB2 2.900 . 4.000 4.010 4.010 4.010 0.010 1 0 "[ ]" 2
189 4 14 VAL MG2 4 34 ASP HB2 3.400 . 5.300 3.530 3.530 3.530 . 0 0 "[ ]" 2
190 4 14 VAL QG 4 54 LEU QD 3.400 . 7.000 5.609 5.609 5.609 . 0 0 "[ ]" 2
191 4 14 VAL QG 4 31 PHE QD 3.400 . 9.400 3.443 3.443 3.443 . 0 0 "[ ]" 2
192 4 14 VAL QG 4 31 PHE QE 3.400 . 9.400 1.780 1.780 1.780 0.020 1 0 "[ ]" 2
193 4 14 VAL QG 4 33 TYR QE 3.400 . 9.400 3.556 3.556 3.556 . 0 0 "[ ]" 2
194 4 14 VAL MG1 4 15 ASP H 3.400 . 5.300 3.994 3.994 3.994 . 0 0 "[ ]" 2
195 4 14 VAL MG2 4 15 ASP H 3.400 . 5.300 1.999 1.999 1.999 . 0 0 "[ ]" 2
196 4 14 VAL MG2 4 18 LYS H 3.400 . 5.300 2.989 2.989 2.989 . 0 0 "[ ]" 2
197 4 15 ASP H 4 15 ASP QB 2.300 . 3.800 2.547 2.547 2.547 . 0 0 "[ ]" 2
198 4 15 ASP HA 4 15 ASP QB 2.300 . 3.800 2.210 2.210 2.210 . 0 0 "[ ]" 2
199 4 15 ASP QB 4 16 ILE H 2.300 . 3.800 2.458 2.458 2.458 . 0 0 "[ ]" 2
200 4 15 ASP QB 4 18 LYS H 2.900 . 5.000 4.826 4.826 4.826 . 0 0 "[ ]" 2
201 4 15 ASP HA 4 16 ILE H 2.300 . 2.800 2.546 2.546 2.546 . 0 0 "[ ]" 2
202 4 15 ASP QB 4 18 LYS QB 3.400 . 7.000 5.046 5.046 5.046 . 0 0 "[ ]" 2
203 4 16 ILE H 4 16 ILE HA 2.900 . 4.000 2.793 2.793 2.793 . 0 0 "[ ]" 2
204 4 16 ILE H 4 16 ILE HB 2.300 . 2.800 3.398 3.398 3.398 0.598 1 1 [+] 2
205 4 16 ILE HA 4 16 ILE HB 2.300 . 2.800 2.363 2.363 2.363 . 0 0 "[ ]" 2
206 4 16 ILE HA 4 16 ILE MG 2.900 . 4.300 2.439 2.439 2.439 . 0 0 "[ ]" 2
207 4 16 ILE HA 4 16 ILE MD 3.400 . 5.300 3.509 3.509 3.509 . 0 0 "[ ]" 2
208 4 16 ILE HB 4 16 ILE MG 2.300 . 3.100 2.106 2.106 2.106 . 0 0 "[ ]" 2
209 4 16 ILE HB 4 16 ILE MD 2.900 . 4.300 3.181 3.181 3.181 . 0 0 "[ ]" 2
210 4 16 ILE HB 4 16 ILE QG 2.300 . 3.800 2.187 2.187 2.187 . 0 0 "[ ]" 2
211 4 16 ILE QG 4 16 ILE MG 2.900 . 5.300 2.415 2.415 2.415 . 0 0 "[ ]" 2
212 4 16 ILE H 4 16 ILE MG 3.400 . 5.300 1.795 1.795 1.795 0.005 1 0 "[ ]" 2
213 4 16 ILE HA 4 19 ILE H 3.400 . 5.000 3.178 3.178 3.178 . 0 0 "[ ]" 2
214 4 16 ILE HA 4 19 ILE MD 3.400 . 5.300 1.849 1.849 1.849 . 0 0 "[ ]" 2
215 4 16 ILE HA 4 19 ILE QG 2.300 . 3.800 3.197 3.197 3.197 . 0 0 "[ ]" 2
216 4 16 ILE MG 4 19 ILE HB 2.900 . 4.300 4.322 4.322 4.322 0.022 1 0 "[ ]" 2
217 4 16 ILE MG 4 19 ILE MD 3.400 . 5.600 2.859 2.859 2.859 . 0 0 "[ ]" 2
218 4 16 ILE MD 4 19 ILE MD 3.400 . 5.600 4.173 4.173 4.173 . 0 0 "[ ]" 2
219 4 16 ILE MD 4 19 ILE QG 2.900 . 5.300 5.303 5.303 5.303 0.003 1 0 "[ ]" 2
220 4 16 ILE H 4 17 SER H 2.900 . 4.000 2.730 2.730 2.730 . 0 0 "[ ]" 2
221 4 16 ILE HB 4 17 SER H 3.400 . 6.000 4.177 4.177 4.177 . 0 0 "[ ]" 2
222 4 16 ILE HA 4 18 LYS H 2.900 . 4.000 3.370 3.370 3.370 . 0 0 "[ ]" 2
223 4 16 ILE MD 4 19 ILE H 3.400 . 5.300 5.273 5.273 5.273 . 0 0 "[ ]" 2
224 4 17 SER H 4 17 SER HA 2.300 . 2.800 2.873 2.873 2.873 0.073 1 0 "[ ]" 2
225 4 17 SER H 4 17 SER QB 2.900 . 5.000 2.033 2.033 2.033 . 0 0 "[ ]" 2
226 4 17 SER HA 4 17 SER QB 2.300 . 3.800 2.175 2.175 2.175 . 0 0 "[ ]" 2
227 4 17 SER H 4 18 LYS H 2.300 . 4.800 2.780 2.780 2.780 . 0 0 "[ ]" 2
228 4 17 SER HA 4 18 LYS H 2.900 . 4.000 3.335 3.335 3.335 . 0 0 "[ ]" 2
229 4 17 SER H 4 19 ILE MD 3.400 . 5.300 4.194 4.194 4.194 . 0 0 "[ ]" 2
230 4 18 LYS H 4 18 LYS HA 2.900 . 4.000 2.988 2.988 2.988 . 0 0 "[ ]" 2
231 4 18 LYS H 4 19 ILE H 2.300 . 2.800 1.888 1.888 1.888 . 0 0 "[ ]" 2
232 4 18 LYS QB 4 19 ILE H 3.400 . 6.000 3.463 3.463 3.463 . 0 0 "[ ]" 2
233 4 19 ILE H 4 19 ILE QG 2.300 . 3.800 2.334 2.334 2.334 . 0 0 "[ ]" 2
234 4 19 ILE HA 4 19 ILE MG 3.400 . 5.300 2.281 2.281 2.281 . 0 0 "[ ]" 2
235 4 19 ILE HA 4 19 ILE MD 2.900 . 5.300 3.886 3.886 3.886 . 0 0 "[ ]" 2
236 4 19 ILE HB 4 19 ILE MD 2.900 . 4.300 2.290 2.290 2.290 . 0 0 "[ ]" 2
237 4 19 ILE HB 4 19 ILE QG 2.300 . 3.800 2.447 2.447 2.447 . 0 0 "[ ]" 2
238 4 19 ILE MD 4 19 ILE MG 2.900 . 4.600 1.946 1.946 1.946 . 0 0 "[ ]" 2
239 4 19 ILE QG 4 19 ILE MG 2.300 . 4.100 2.238 2.238 2.238 . 0 0 "[ ]" 2
240 4 19 ILE H 4 19 ILE HB 3.400 . 6.000 2.467 2.467 2.467 . 0 0 "[ ]" 2
241 4 19 ILE H 4 19 ILE MG 3.400 . 5.300 3.781 3.781 3.781 . 0 0 "[ ]" 2
242 4 19 ILE H 4 19 ILE MD 3.400 . 5.300 3.374 3.374 3.374 . 0 0 "[ ]" 2
243 4 19 ILE HA 4 19 ILE HB 2.900 . 4.000 3.040 3.040 3.040 . 0 0 "[ ]" 2
244 4 19 ILE HA 4 19 ILE QG 2.900 . 5.000 2.487 2.487 2.487 . 0 0 "[ ]" 2
245 4 19 ILE HA 4 20 LYS H 2.900 . 4.000 2.298 2.298 2.298 . 0 0 "[ ]" 2
246 4 19 ILE HA 4 22 VAL QG 3.400 . 7.400 4.028 4.028 4.028 . 0 0 "[ ]" 2
247 4 19 ILE MG 4 22 VAL HB 3.400 . 5.300 4.260 4.260 4.260 . 0 0 "[ ]" 2
248 4 19 ILE MD 4 22 VAL QG 3.400 . 7.700 4.275 4.275 4.275 . 0 0 "[ ]" 2
249 4 19 ILE MG 4 31 PHE QB 3.400 . 6.300 2.574 2.574 2.574 . 0 0 "[ ]" 2
250 4 19 ILE HA 4 33 TYR HA 2.300 . 2.800 2.842 2.842 2.842 0.042 1 0 "[ ]" 2
251 4 19 ILE MG 4 33 TYR HA 3.400 . 5.300 4.221 4.221 4.221 . 0 0 "[ ]" 2
252 4 19 ILE MD 4 33 TYR HA 3.400 . 5.300 5.109 5.109 5.109 . 0 0 "[ ]" 2
253 4 19 ILE HB 4 22 VAL QG 2.900 . 6.400 4.373 4.373 4.373 . 0 0 "[ ]" 2
254 4 19 ILE MD 4 31 PHE QD 3.400 . 7.300 3.047 3.047 3.047 . 0 0 "[ ]" 2
255 4 19 ILE MD 4 31 PHE QE 3.400 . 7.300 2.822 2.822 2.822 . 0 0 "[ ]" 2
256 4 19 ILE MD 4 33 TYR QD 3.400 . 7.300 5.163 5.163 5.163 . 0 0 "[ ]" 2
257 4 20 LYS H 4 21 LYS H 2.300 . 2.800 2.291 2.291 2.291 . 0 0 "[ ]" 2
258 4 20 LYS HA 4 21 LYS H 2.300 . 4.800 3.597 3.597 3.597 . 0 0 "[ ]" 2
259 4 20 LYS HA 4 22 VAL H 2.300 . 5.300 5.339 5.339 5.339 0.039 1 0 "[ ]" 2
260 4 21 LYS QB 4 21 LYS QE 2.900 . 6.000 3.050 3.050 3.050 . 0 0 "[ ]" 2
261 4 21 LYS H 4 21 LYS QD 3.400 . 6.000 4.189 4.189 4.189 . 0 0 "[ ]" 2
262 4 21 LYS H 4 21 LYS QG 3.400 . 6.000 3.067 3.067 3.067 . 0 0 "[ ]" 2
263 4 21 LYS QB 4 22 VAL H 2.300 . 3.800 3.705 3.705 3.705 . 0 0 "[ ]" 2
264 4 21 LYS HA 4 22 VAL H 2.300 . 2.800 2.238 2.238 2.238 . 0 0 "[ ]" 2
265 4 21 LYS H 4 32 THR H 2.300 . 3.800 3.836 3.836 3.836 0.036 1 0 "[ ]" 2
266 4 21 LYS QB 4 23 TRP HZ3 3.400 . 6.000 3.368 3.368 3.368 . 0 0 "[ ]" 2
267 4 21 LYS HA 4 57 MET ME 3.400 . 6.000 6.038 6.038 6.038 0.038 1 0 "[ ]" 2
268 4 21 LYS QB 4 23 TRP HE3 2.300 . 3.800 3.780 3.780 3.780 . 0 0 "[ ]" 2
269 4 22 VAL H 4 22 VAL HA 2.900 . 4.000 2.974 2.974 2.974 . 0 0 "[ ]" 2
270 4 22 VAL H 4 22 VAL HB 2.300 . 3.800 3.861 3.861 3.861 0.061 1 0 "[ ]" 2
271 4 22 VAL HA 4 22 VAL HB 2.900 . 4.000 2.409 2.409 2.409 . 0 0 "[ ]" 2
272 4 22 VAL HA 4 22 VAL QG 2.900 . 6.400 2.328 2.328 2.328 . 0 0 "[ ]" 2
273 4 22 VAL H 4 22 VAL QG 3.400 . 7.400 2.050 2.050 2.050 . 0 0 "[ ]" 2
274 4 22 VAL HA 4 23 TRP H 2.300 . 2.800 2.215 2.215 2.215 . 0 0 "[ ]" 2
275 4 22 VAL HB 4 23 TRP H 2.900 . 4.000 3.812 3.812 3.812 . 0 0 "[ ]" 2
276 4 22 VAL QG 4 23 TRP HA 2.900 . 6.400 3.804 3.804 3.804 . 0 0 "[ ]" 2
277 4 22 VAL QG 4 24 ARG QG 3.400 . 8.400 5.446 5.446 5.446 . 0 0 "[ ]" 2
278 4 22 VAL HA 4 31 PHE HA 2.300 . 2.800 1.980 1.980 1.980 . 0 0 "[ ]" 2
279 4 22 VAL QG 4 31 PHE HA 3.400 . 7.400 1.927 1.927 1.927 . 0 0 "[ ]" 2
280 4 22 VAL QG 4 31 PHE QB 3.400 . 8.400 1.766 1.766 1.766 0.034 1 0 "[ ]" 2
281 4 22 VAL HA 4 32 THR H 3.400 . 5.000 3.673 3.673 3.673 . 0 0 "[ ]" 2
282 4 22 VAL QG 4 23 TRP H 2.900 . 6.400 3.678 3.678 3.678 . 0 0 "[ ]" 2
283 4 22 VAL HA 4 31 PHE QB 3.400 . 6.000 3.456 3.456 3.456 . 0 0 "[ ]" 2
284 4 22 VAL HB 4 29 ILE MG 3.400 . 6.000 1.933 1.933 1.933 . 0 0 "[ ]" 2
285 4 22 VAL QG 4 57 MET QB 3.400 . 6.000 4.860 4.860 4.860 . 0 0 "[ ]" 2
286 4 22 VAL QG 4 57 MET ME 3.400 . 6.000 1.838 1.838 1.838 . 0 0 "[ ]" 2
287 4 22 VAL QG 4 29 ILE MG 3.400 . 6.000 1.990 1.990 1.990 . 0 0 "[ ]" 2
288 4 22 VAL QG 4 31 PHE QD 3.400 . 6.000 3.152 3.152 3.152 . 0 0 "[ ]" 2
289 4 22 VAL QG 4 24 ARG HA 3.400 . 7.000 6.106 6.106 6.106 . 0 0 "[ ]" 2
290 4 22 VAL H 4 23 TRP H 2.900 . 4.500 4.022 4.022 4.022 . 0 0 "[ ]" 2
291 4 22 VAL H 4 23 TRP HE3 2.900 . 4.000 4.046 4.046 4.046 0.046 1 0 "[ ]" 2
292 4 22 VAL QG 4 24 ARG H 3.400 . 7.400 5.798 5.798 5.798 . 0 0 "[ ]" 2
293 4 22 VAL HA 4 31 PHE QD 2.900 . 6.000 5.160 5.160 5.160 . 0 0 "[ ]" 2
294 4 23 TRP H 4 23 TRP HB3 2.900 . 4.000 2.790 2.790 2.790 . 0 0 "[ ]" 2
295 4 23 TRP H 4 23 TRP HB2 2.900 . 4.000 3.703 3.703 3.703 . 0 0 "[ ]" 2
296 4 23 TRP H 4 23 TRP HE3 2.900 . 4.000 2.017 2.017 2.017 . 0 0 "[ ]" 2
297 4 23 TRP HA 4 23 TRP HB3 2.300 . 2.800 2.539 2.539 2.539 . 0 0 "[ ]" 2
298 4 23 TRP HA 4 23 TRP HB2 2.300 . 2.800 2.420 2.420 2.420 . 0 0 "[ ]" 2
299 4 23 TRP HB3 4 23 TRP HD1 2.900 . 4.000 3.771 3.771 3.771 . 0 0 "[ ]" 2
300 4 23 TRP HB3 4 23 TRP HE3 2.900 . 4.000 2.634 2.634 2.634 . 0 0 "[ ]" 2
301 4 23 TRP HB2 4 23 TRP HD1 2.900 . 4.000 2.609 2.609 2.609 . 0 0 "[ ]" 2
302 4 23 TRP HB2 4 23 TRP HE3 2.900 . 4.000 4.124 4.124 4.124 0.124 1 0 "[ ]" 2
303 4 23 TRP HA 4 24 ARG H 2.300 . 2.800 2.842 2.842 2.842 0.042 1 0 "[ ]" 2
304 4 23 TRP HB3 4 24 ARG H 2.900 . 4.000 3.696 3.696 3.696 . 0 0 "[ ]" 2
305 4 23 TRP HB2 4 24 ARG H 2.900 . 4.000 2.210 2.210 2.210 . 0 0 "[ ]" 2
306 4 23 TRP H 4 30 SER H 2.900 . 4.000 4.008 4.008 4.008 0.008 1 0 "[ ]" 2
307 4 23 TRP HA 4 58 LEU QD 3.400 . 7.000 6.826 6.826 6.826 . 0 0 "[ ]" 2
308 4 23 TRP HZ3 4 32 THR MG 3.400 . 6.000 2.071 2.071 2.071 . 0 0 "[ ]" 2
309 4 23 TRP HD1 4 25 VAL QG 3.400 . 5.300 2.960 2.960 2.960 . 0 0 "[ ]" 2
310 4 23 TRP HH2 4 32 THR HB 3.400 . 6.000 5.740 5.740 5.740 . 0 0 "[ ]" 2
311 4 23 TRP HH2 4 32 THR MG 3.400 . 6.000 3.007 3.007 3.007 . 0 0 "[ ]" 2
312 4 23 TRP HZ2 4 32 THR MG 3.400 . 6.000 4.943 4.943 4.943 . 0 0 "[ ]" 2
313 4 23 TRP HE3 4 32 THR MG 3.400 . 6.000 3.848 3.848 3.848 . 0 0 "[ ]" 2
314 4 23 TRP HD1 4 24 ARG H 2.900 . 4.000 2.350 2.350 2.350 . 0 0 "[ ]" 2
315 4 23 TRP HD1 4 25 VAL HA 3.400 . 5.000 3.937 3.937 3.937 . 0 0 "[ ]" 2
316 4 23 TRP HE1 4 25 VAL QG 3.400 . 5.300 2.703 2.703 2.703 . 0 0 "[ ]" 2
317 4 23 TRP H 4 31 PHE HA 2.900 . 4.000 3.790 3.790 3.790 . 0 0 "[ ]" 2
318 4 24 ARG H 4 24 ARG QG 2.900 . 5.000 2.124 2.124 2.124 . 0 0 "[ ]" 2
319 4 24 ARG HA 4 24 ARG QG 2.900 . 5.000 3.294 3.294 3.294 . 0 0 "[ ]" 2
320 4 24 ARG QB 4 24 ARG QG 2.300 . 4.800 2.093 2.093 2.093 . 0 0 "[ ]" 2
321 4 24 ARG QD 4 24 ARG QG 2.300 . 4.800 2.059 2.059 2.059 . 0 0 "[ ]" 2
322 4 24 ARG H 4 24 ARG HA 2.900 . 4.000 2.938 2.938 2.938 . 0 0 "[ ]" 2
323 4 24 ARG H 4 24 ARG QB 2.900 . 5.000 3.225 3.225 3.225 . 0 0 "[ ]" 2
324 4 24 ARG HA 4 25 VAL H 2.900 . 4.000 2.370 2.370 2.370 . 0 0 "[ ]" 2
325 4 24 ARG HA 4 25 VAL QG 3.400 . 6.000 3.913 3.913 3.913 . 0 0 "[ ]" 2
326 4 24 ARG QG 4 25 VAL H 2.900 . 5.000 4.292 4.292 4.292 . 0 0 "[ ]" 2
327 4 24 ARG HA 4 29 ILE HA 2.300 . 2.800 2.986 2.986 2.986 0.186 1 0 "[ ]" 2
328 4 24 ARG QG 4 29 ILE MD 2.900 . 5.300 3.694 3.694 3.694 . 0 0 "[ ]" 2
329 4 24 ARG HA 4 30 SER H 3.400 . 5.000 2.386 2.386 2.386 . 0 0 "[ ]" 2
330 4 24 ARG HA 4 29 ILE MD 3.400 . 6.000 4.330 4.330 4.330 . 0 0 "[ ]" 2
331 4 25 VAL H 4 25 VAL HB 3.400 . 6.000 2.570 2.570 2.570 . 0 0 "[ ]" 2
332 4 25 VAL H 4 25 VAL QG 3.400 . 5.300 2.038 2.038 2.038 . 0 0 "[ ]" 2
333 4 25 VAL HA 4 25 VAL HB 2.900 . 4.000 3.053 3.053 3.053 . 0 0 "[ ]" 2
334 4 25 VAL HA 4 26 GLY H 2.900 . 4.000 3.545 3.545 3.545 . 0 0 "[ ]" 2
335 4 25 VAL QG 4 26 GLY H 3.400 . 5.300 2.718 2.718 2.718 . 0 0 "[ ]" 2
336 4 25 VAL H 4 28 MET H 2.900 . 4.000 4.567 4.567 4.567 0.567 1 1 [+] 2
337 4 26 GLY H 4 26 GLY QA 2.300 . 3.800 2.525 2.525 2.525 . 0 0 "[ ]" 2
338 4 26 GLY QA 4 27 LYS H 2.300 . 3.800 2.727 2.727 2.727 . 0 0 "[ ]" 2
339 4 26 GLY H 4 27 LYS H 2.900 . 4.000 2.003 2.003 2.003 . 0 0 "[ ]" 2
340 4 27 LYS H 4 28 MET H 2.300 . 2.800 2.032 2.032 2.032 . 0 0 "[ ]" 2
341 4 27 LYS QB 4 28 MET HA 3.400 . 6.000 4.656 4.656 4.656 . 0 0 "[ ]" 2
342 4 27 LYS QG 4 28 MET QB 3.400 . 6.000 2.940 2.940 2.940 . 0 0 "[ ]" 2
343 4 27 LYS QB 4 46 SER QB 3.400 . 6.000 5.348 5.348 5.348 . 0 0 "[ ]" 2
344 4 27 LYS QB 4 46 SER HA 3.400 . 6.000 6.128 6.128 6.128 0.128 1 0 "[ ]" 2
345 4 27 LYS QB 4 47 GLU HA 3.400 . 7.000 9.952 9.952 9.952 2.952 1 1 [+] 2
346 4 28 MET HA 4 28 MET HB3 2.300 . 2.800 2.372 2.372 2.372 . 0 0 "[ ]" 2
347 4 28 MET HA 4 28 MET HB2 2.300 . 2.800 2.603 2.603 2.603 . 0 0 "[ ]" 2
348 4 28 MET HB2 4 28 MET ME 2.300 . 3.100 3.131 3.131 3.131 0.031 1 0 "[ ]" 2
349 4 28 MET H 4 28 MET HB3 2.900 . 4.000 3.627 3.627 3.627 . 0 0 "[ ]" 2
350 4 28 MET H 4 28 MET HB2 2.900 . 4.000 3.889 3.889 3.889 . 0 0 "[ ]" 2
351 4 28 MET HB3 4 28 MET ME 2.300 . 3.100 1.815 1.815 1.815 . 0 0 "[ ]" 2
352 4 28 MET HB3 4 28 MET QG 2.300 . 3.800 2.404 2.404 2.404 . 0 0 "[ ]" 2
353 4 28 MET HB2 4 28 MET QG 2.300 . 3.800 2.317 2.317 2.317 . 0 0 "[ ]" 2
354 4 28 MET HA 4 29 ILE MD 3.400 . 5.300 2.856 2.856 2.856 . 0 0 "[ ]" 2
355 4 28 MET HB3 4 29 ILE MD 2.900 . 5.300 4.563 4.563 4.563 . 0 0 "[ ]" 2
356 4 28 MET HB2 4 29 ILE MD 2.900 . 4.300 3.760 3.760 3.760 . 0 0 "[ ]" 2
357 4 28 MET HA 4 45 VAL MG2 2.900 . 5.300 5.260 5.260 5.260 . 0 0 "[ ]" 2
358 4 28 MET HA 4 46 SER HA 2.300 . 4.800 3.134 3.134 3.134 . 0 0 "[ ]" 2
359 4 28 MET HA 4 46 SER QB 2.300 . 3.800 3.825 3.825 3.825 0.025 1 0 "[ ]" 2
360 4 28 MET HB3 4 46 SER HA 2.300 . 2.800 2.004 2.004 2.004 . 0 0 "[ ]" 2
361 4 28 MET HB3 4 46 SER QB 2.300 . 3.800 1.951 1.951 1.951 . 0 0 "[ ]" 2
362 4 28 MET QG 4 46 SER HA 2.900 . 5.000 3.664 3.664 3.664 . 0 0 "[ ]" 2
363 4 28 MET HA 4 29 ILE H 2.300 . 2.800 3.378 3.378 3.378 0.578 1 1 [+] 2
364 4 28 MET HA 4 47 GLU H 2.300 . 3.800 3.927 3.927 3.927 0.127 1 0 "[ ]" 2
365 4 28 MET ME 4 44 ALA MB 3.400 . 6.000 3.065 3.065 3.065 . 0 0 "[ ]" 2
366 4 28 MET QG 4 45 VAL HA 3.400 . 6.000 4.602 4.602 4.602 . 0 0 "[ ]" 2
367 4 29 ILE HA 4 29 ILE HB 2.900 . 4.000 2.997 2.997 2.997 . 0 0 "[ ]" 2
368 4 29 ILE HA 4 29 ILE MG 2.900 . 4.300 2.064 2.064 2.064 . 0 0 "[ ]" 2
369 4 29 ILE HA 4 29 ILE QG 2.900 . 5.000 3.196 3.196 3.196 . 0 0 "[ ]" 2
370 4 29 ILE H 4 29 ILE MG 3.400 . 5.300 3.962 3.962 3.962 . 0 0 "[ ]" 2
371 4 29 ILE H 4 29 ILE MD 3.400 . 5.300 3.404 3.404 3.404 . 0 0 "[ ]" 2
372 4 29 ILE HB 4 29 ILE MG 2.300 . 3.100 2.130 2.130 2.130 . 0 0 "[ ]" 2
373 4 29 ILE HB 4 29 ILE MD 2.900 . 4.300 3.179 3.179 3.179 . 0 0 "[ ]" 2
374 4 29 ILE MD 4 29 ILE MG 2.900 . 4.600 1.861 1.861 1.861 . 0 0 "[ ]" 2
375 4 29 ILE QG 4 29 ILE MG 2.300 . 4.100 2.311 2.311 2.311 . 0 0 "[ ]" 2
376 4 29 ILE HA 4 30 SER H 2.300 . 2.800 2.380 2.380 2.380 . 0 0 "[ ]" 2
377 4 29 ILE HA 4 45 VAL QG 3.400 . 7.400 3.948 3.948 3.948 . 0 0 "[ ]" 2
378 4 29 ILE MD 4 46 SER HA 2.900 . 4.300 4.322 4.322 4.322 0.022 1 0 "[ ]" 2
379 4 29 ILE MD 4 46 SER QB 2.900 . 6.300 5.479 5.479 5.479 . 0 0 "[ ]" 2
380 4 29 ILE MG 4 45 VAL QG 3.400 . 6.000 3.285 3.285 3.285 . 0 0 "[ ]" 2
381 4 29 ILE MG 4 44 ALA HA 3.400 . 6.000 5.925 5.925 5.925 . 0 0 "[ ]" 2
382 4 29 ILE HB 4 45 VAL QG 3.400 . 6.000 2.021 2.021 2.021 . 0 0 "[ ]" 2
383 4 29 ILE MD 4 47 GLU HA 3.400 . 7.000 5.466 5.466 5.466 . 0 0 "[ ]" 2
384 4 29 ILE MG 4 31 PHE QD 2.900 . 6.300 5.326 5.326 5.326 . 0 0 "[ ]" 2
385 4 30 SER HA 4 44 ALA HA 2.300 . 2.800 1.859 1.859 1.859 . 0 0 "[ ]" 2
386 4 30 SER HA 4 44 ALA MB 2.900 . 4.300 3.315 3.315 3.315 . 0 0 "[ ]" 2
387 4 30 SER HA 4 31 PHE H 2.300 . 2.800 2.271 2.271 2.271 . 0 0 "[ ]" 2
388 4 30 SER HA 4 45 VAL H 2.900 . 4.000 3.058 3.058 3.058 . 0 0 "[ ]" 2
389 4 30 SER HA 4 46 SER H 2.900 . 7.000 7.057 7.057 7.057 0.057 1 0 "[ ]" 2
390 4 30 SER HA 4 31 PHE QD 2.900 . 6.000 3.715 3.715 3.715 . 0 0 "[ ]" 2
391 4 31 PHE HA 4 31 PHE QB 2.300 . 3.800 2.178 2.178 2.178 . 0 0 "[ ]" 2
392 4 31 PHE H 4 31 PHE QD 2.900 . 6.000 1.844 1.844 1.844 . 0 0 "[ ]" 2
393 4 31 PHE HA 4 31 PHE QD 2.900 . 6.000 3.580 3.580 3.580 . 0 0 "[ ]" 2
394 4 31 PHE H 4 31 PHE HA 2.900 . 4.000 2.993 2.993 2.993 . 0 0 "[ ]" 2
395 4 31 PHE HA 4 32 THR H 2.300 . 2.800 2.355 2.355 2.355 . 0 0 "[ ]" 2
396 4 31 PHE QE 4 45 VAL QG 3.400 . 9.400 2.534 2.534 2.534 . 0 0 "[ ]" 2
397 4 31 PHE QB 4 32 THR H 2.900 . 5.000 2.852 2.852 2.852 . 0 0 "[ ]" 2
398 4 31 PHE H 4 43 GLY H 2.900 . 4.000 3.351 3.351 3.351 . 0 0 "[ ]" 2
399 4 31 PHE QD 4 33 TYR QD 3.400 . 6.000 3.642 3.642 3.642 . 0 0 "[ ]" 2
400 4 31 PHE QD 4 32 THR H 2.300 . 4.800 3.795 3.795 3.795 . 0 0 "[ ]" 2
401 4 31 PHE QD 4 32 THR HA 2.900 . 6.000 4.162 4.162 4.162 . 0 0 "[ ]" 2
402 4 31 PHE QD 4 33 TYR QB 2.900 . 7.000 3.412 3.412 3.412 . 0 0 "[ ]" 2
403 4 31 PHE QE 4 33 TYR QD 2.300 . 6.800 2.759 2.759 2.759 . 0 0 "[ ]" 2
404 4 31 PHE QE 4 33 TYR QE 2.900 . 8.000 2.720 2.720 2.720 . 0 0 "[ ]" 2
405 4 31 PHE QE 4 32 THR HA 2.900 . 6.000 4.636 4.636 4.636 . 0 0 "[ ]" 2
406 4 31 PHE QD 4 33 TYR H 2.900 . 6.000 4.707 4.707 4.707 . 0 0 "[ ]" 2
407 4 31 PHE H 4 44 ALA MB 2.900 . 4.300 4.634 4.634 4.634 0.334 1 0 "[ ]" 2
408 4 32 THR HA 4 32 THR HB 2.900 . 4.000 2.457 2.457 2.457 . 0 0 "[ ]" 2
409 4 32 THR HA 4 32 THR MG 2.900 . 4.300 2.426 2.426 2.426 . 0 0 "[ ]" 2
410 4 32 THR H 4 32 THR MG 3.400 . 6.000 2.642 2.642 2.642 . 0 0 "[ ]" 2
411 4 32 THR H 4 32 THR HA 2.900 . 4.000 3.004 3.004 3.004 . 0 0 "[ ]" 2
412 4 32 THR HA 4 33 TYR H 2.900 . 4.000 2.227 2.227 2.227 . 0 0 "[ ]" 2
413 4 32 THR MG 4 33 TYR H 2.900 . 4.300 4.231 4.231 4.231 . 0 0 "[ ]" 2
414 4 32 THR HA 4 42 ARG HA 2.900 . 4.000 2.036 2.036 2.036 . 0 0 "[ ]" 2
415 4 32 THR MG 4 42 ARG HA 3.400 . 5.300 1.820 1.820 1.820 . 0 0 "[ ]" 2
416 4 32 THR MG 4 42 ARG QD 3.400 . 6.300 3.882 3.882 3.882 . 0 0 "[ ]" 2
417 4 32 THR HB 4 33 TYR H 2.900 . 4.000 3.612 3.612 3.612 . 0 0 "[ ]" 2
418 4 32 THR HA 4 40 THR MG 3.400 . 6.000 3.887 3.887 3.887 . 0 0 "[ ]" 2
419 4 32 THR HB 4 40 THR MG 3.400 . 6.000 1.868 1.868 1.868 . 0 0 "[ ]" 2
420 4 32 THR MG 4 40 THR MG 3.400 . 6.000 2.402 2.402 2.402 . 0 0 "[ ]" 2
421 4 32 THR MG 4 42 ARG QB 3.400 . 6.000 2.034 2.034 2.034 . 0 0 "[ ]" 2
422 4 32 THR HA 4 33 TYR QD 3.400 . 7.000 3.197 3.197 3.197 . 0 0 "[ ]" 2
423 4 32 THR MG 4 33 TYR HA 3.400 . 6.300 5.584 5.584 5.584 . 0 0 "[ ]" 2
424 4 32 THR MG 4 33 TYR QD 2.900 . 6.300 4.966 4.966 4.966 . 0 0 "[ ]" 2
425 4 33 TYR H 4 33 TYR HA 2.900 . 4.000 3.004 3.004 3.004 . 0 0 "[ ]" 2
426 4 33 TYR QB 4 33 TYR QD 2.900 . 7.000 2.150 2.150 2.150 . 0 0 "[ ]" 2
427 4 33 TYR H 4 33 TYR QD 2.300 . 4.800 2.114 2.114 2.114 . 0 0 "[ ]" 2
428 4 33 TYR HA 4 33 TYR QD 3.400 . 7.000 3.703 3.703 3.703 . 0 0 "[ ]" 2
429 4 33 TYR HA 4 34 ASP H 2.300 . 3.800 3.588 3.588 3.588 . 0 0 "[ ]" 2
430 4 33 TYR QD 4 34 ASP H 2.900 . 6.000 2.777 2.777 2.777 . 0 0 "[ ]" 2
431 4 33 TYR QD 4 35 GLU QG 2.900 . 7.000 6.296 6.296 6.296 . 0 0 "[ ]" 2
432 4 33 TYR QE 4 35 GLU QG 2.900 . 7.000 5.996 5.996 5.996 . 0 0 "[ ]" 2
433 4 33 TYR QD 4 41 GLY QA 2.300 . 5.800 4.531 4.531 4.531 . 0 0 "[ ]" 2
434 4 33 TYR QE 4 41 GLY QA 2.900 . 7.000 4.260 4.260 4.260 . 0 0 "[ ]" 2
435 4 33 TYR QE 4 44 ALA H 2.900 . 6.000 5.975 5.975 5.975 . 0 0 "[ ]" 2
436 4 33 TYR H 4 40 THR MG 3.400 . 5.300 4.551 4.551 4.551 . 0 0 "[ ]" 2
437 4 34 ASP H 4 34 ASP HA 2.900 . 4.000 2.886 2.886 2.886 . 0 0 "[ ]" 2
438 4 34 ASP H 4 34 ASP HB3 2.900 . 4.000 3.390 3.390 3.390 . 0 0 "[ ]" 2
439 4 34 ASP H 4 34 ASP HB2 2.900 . 4.000 3.087 3.087 3.087 . 0 0 "[ ]" 2
440 4 34 ASP HA 4 34 ASP HB3 2.900 . 4.000 2.963 2.963 2.963 . 0 0 "[ ]" 2
441 4 34 ASP HA 4 34 ASP HB2 2.900 . 4.000 2.730 2.730 2.730 . 0 0 "[ ]" 2
442 4 34 ASP HA 4 35 GLU H 2.300 . 3.800 2.552 2.552 2.552 . 0 0 "[ ]" 2
443 4 34 ASP HB2 4 36 GLY H 2.300 . 4.800 4.763 4.763 4.763 . 0 0 "[ ]" 2
444 4 34 ASP QB 4 35 GLU QB 2.900 . 6.000 4.734 4.734 4.734 . 0 0 "[ ]" 2
445 4 34 ASP HA 4 40 THR HB 3.400 . 6.000 5.553 5.553 5.553 . 0 0 "[ ]" 2
446 4 34 ASP HB3 4 35 GLU H 2.900 . 4.000 2.916 2.916 2.916 . 0 0 "[ ]" 2
447 4 34 ASP HB2 4 35 GLU H 2.900 . 4.000 3.972 3.972 3.972 . 0 0 "[ ]" 2
448 4 35 GLU H 4 35 GLU HB3 2.900 . 4.000 3.375 3.375 3.375 . 0 0 "[ ]" 2
449 4 35 GLU H 4 35 GLU HB2 2.900 . 4.000 3.889 3.889 3.889 . 0 0 "[ ]" 2
450 4 35 GLU HA 4 35 GLU HB3 2.900 . 4.000 2.437 2.437 2.437 . 0 0 "[ ]" 2
451 4 35 GLU HA 4 35 GLU HB2 2.900 . 4.000 2.518 2.518 2.518 . 0 0 "[ ]" 2
452 4 35 GLU HB2 4 35 GLU QG 2.300 . 3.800 2.538 2.538 2.538 . 0 0 "[ ]" 2
453 4 35 GLU H 4 35 GLU HA 2.900 . 4.000 2.955 2.955 2.955 . 0 0 "[ ]" 2
454 4 35 GLU HA 4 36 GLY H 2.300 . 3.800 2.962 2.962 2.962 . 0 0 "[ ]" 2
455 4 36 GLY H 4 36 GLY QA 2.300 . 3.800 2.398 2.398 2.398 . 0 0 "[ ]" 2
456 4 36 GLY QA 4 37 GLY H 2.900 . 5.000 2.833 2.833 2.833 . 0 0 "[ ]" 2
457 4 36 GLY H 4 38 GLY QA 2.900 . 5.000 4.816 4.816 4.816 . 0 0 "[ ]" 2
458 4 37 GLY QA 4 38 GLY H 2.900 . 5.000 2.586 2.586 2.586 . 0 0 "[ ]" 2
459 4 37 GLY QA 4 39 LYS H 2.900 . 5.000 4.266 4.266 4.266 . 0 0 "[ ]" 2
460 4 38 GLY H 4 38 GLY QA 2.300 . 3.800 2.521 2.521 2.521 . 0 0 "[ ]" 2
461 4 38 GLY QA 4 39 LYS H 2.900 . 5.000 2.763 2.763 2.763 . 0 0 "[ ]" 2
462 4 38 GLY H 4 39 LYS H 2.300 . 2.800 1.873 1.873 1.873 . 0 0 "[ ]" 2
463 4 39 LYS H 4 39 LYS QB 2.300 . 3.800 2.164 2.164 2.164 . 0 0 "[ ]" 2
464 4 39 LYS HA 4 39 LYS QB 2.300 . 3.800 2.520 2.520 2.520 . 0 0 "[ ]" 2
465 4 39 LYS H 4 39 LYS HA 2.900 . 4.000 2.972 2.972 2.972 . 0 0 "[ ]" 2
466 4 39 LYS H 4 39 LYS QD 3.400 . 6.000 3.640 3.640 3.640 . 0 0 "[ ]" 2
467 4 39 LYS H 4 39 LYS QG 3.400 . 6.000 4.069 4.069 4.069 . 0 0 "[ ]" 2
468 4 39 LYS HA 4 40 THR H 2.300 . 2.800 2.751 2.751 2.751 . 0 0 "[ ]" 2
469 4 39 LYS H 4 41 GLY QA 2.300 . 4.800 4.823 4.823 4.823 0.023 1 0 "[ ]" 2
470 4 39 LYS HA 4 41 GLY H 2.300 . 4.800 4.655 4.655 4.655 . 0 0 "[ ]" 2
471 4 39 LYS H 4 40 THR H 2.900 . 4.000 3.341 3.341 3.341 . 0 0 "[ ]" 2
472 4 40 THR H 4 40 THR HB 2.900 . 4.000 3.872 3.872 3.872 . 0 0 "[ ]" 2
473 4 40 THR H 4 40 THR MG 3.400 . 5.300 3.712 3.712 3.712 . 0 0 "[ ]" 2
474 4 40 THR H 4 40 THR HA 2.900 . 4.000 2.367 2.367 2.367 . 0 0 "[ ]" 2
475 4 40 THR H 4 41 GLY QA 2.300 . 5.800 4.856 4.856 4.856 . 0 0 "[ ]" 2
476 4 40 THR HA 4 41 GLY H 3.400 . 6.000 3.578 3.578 3.578 . 0 0 "[ ]" 2
477 4 40 THR HB 4 41 GLY H 2.900 . 4.000 1.874 1.874 1.874 . 0 0 "[ ]" 2
478 4 40 THR MG 4 41 GLY H 3.400 . 5.300 3.509 3.509 3.509 . 0 0 "[ ]" 2
479 4 41 GLY H 4 41 GLY QA 2.300 . 3.800 2.244 2.244 2.244 . 0 0 "[ ]" 2
480 4 41 GLY QA 4 42 ARG H 2.300 . 3.800 2.331 2.331 2.331 . 0 0 "[ ]" 2
481 4 42 ARG H 4 42 ARG HA 2.300 . 2.800 2.832 2.832 2.832 0.032 1 0 "[ ]" 2
482 4 42 ARG H 4 42 ARG QB 3.400 . 6.000 1.990 1.990 1.990 . 0 0 "[ ]" 2
483 4 42 ARG H 4 43 GLY QA 2.900 . 5.000 5.138 5.138 5.138 0.138 1 0 "[ ]" 2
484 4 42 ARG H 4 43 GLY H 2.300 . 4.800 4.607 4.607 4.607 . 0 0 "[ ]" 2
485 4 43 GLY QA 4 44 ALA H 2.300 . 3.800 2.295 2.295 2.295 . 0 0 "[ ]" 2
486 4 44 ALA H 4 44 ALA HA 2.900 . 4.000 2.974 2.974 2.974 . 0 0 "[ ]" 2
487 4 44 ALA H 4 44 ALA MB 3.400 . 5.300 2.109 2.109 2.109 . 0 0 "[ ]" 2
488 4 44 ALA HA 4 45 VAL H 2.300 . 2.800 2.223 2.223 2.223 . 0 0 "[ ]" 2
489 4 44 ALA MB 4 45 VAL H 3.400 . 5.300 3.457 3.457 3.457 . 0 0 "[ ]" 2
490 4 44 ALA H 4 45 VAL QG 3.400 . 6.000 3.949 3.949 3.949 . 0 0 "[ ]" 2
491 4 45 VAL H 4 45 VAL HA 2.300 . 2.800 2.975 2.975 2.975 0.175 1 0 "[ ]" 2
492 4 45 VAL HA 4 45 VAL HB 2.300 . 2.800 2.444 2.444 2.444 . 0 0 "[ ]" 2
493 4 45 VAL HA 4 45 VAL MG1 2.900 . 4.300 2.428 2.428 2.428 . 0 0 "[ ]" 2
494 4 45 VAL HA 4 45 VAL MG2 2.900 . 4.300 3.179 3.179 3.179 . 0 0 "[ ]" 2
495 4 45 VAL HB 4 45 VAL MG1 2.300 . 3.100 2.148 2.148 2.148 . 0 0 "[ ]" 2
496 4 45 VAL HB 4 45 VAL MG2 2.300 . 3.100 2.120 2.120 2.120 . 0 0 "[ ]" 2
497 4 45 VAL H 4 45 VAL MG1 3.400 . 5.300 2.346 2.346 2.346 . 0 0 "[ ]" 2
498 4 45 VAL H 4 45 VAL MG2 3.400 . 5.300 1.866 1.866 1.866 . 0 0 "[ ]" 2
499 4 45 VAL HA 4 46 SER H 2.300 . 2.800 2.219 2.219 2.219 . 0 0 "[ ]" 2
500 4 45 VAL MG1 4 49 ASP HB2 2.900 . 6.300 4.512 4.512 4.512 . 0 0 "[ ]" 2
501 4 45 VAL QG 4 46 SER QB 3.400 . 8.400 4.629 4.629 4.629 . 0 0 "[ ]" 2
502 4 45 VAL HB 4 46 SER H 2.900 . 4.000 3.822 3.822 3.822 . 0 0 "[ ]" 2
503 4 45 VAL QG 4 50 ALA H 3.400 . 6.000 4.675 4.675 4.675 . 0 0 "[ ]" 2
504 4 45 VAL QG 4 50 ALA MB 3.400 . 6.000 3.662 3.662 3.662 . 0 0 "[ ]" 2
505 4 45 VAL QG 4 49 ASP H 3.400 . 6.000 5.304 5.304 5.304 . 0 0 "[ ]" 2
506 4 45 VAL MG1 4 46 SER H 3.400 . 5.300 4.259 4.259 4.259 . 0 0 "[ ]" 2
507 4 45 VAL MG2 4 46 SER H 3.400 . 5.300 4.058 4.058 4.058 . 0 0 "[ ]" 2
508 4 46 SER HA 4 46 SER QB 2.300 . 3.800 2.171 2.171 2.171 . 0 0 "[ ]" 2
509 4 46 SER HA 4 50 ALA H 3.400 . 7.000 5.480 5.480 5.480 . 0 0 "[ ]" 2
510 4 47 GLU H 4 47 GLU QB 2.300 . 3.800 2.413 2.413 2.413 . 0 0 "[ ]" 2
511 4 47 GLU HA 4 47 GLU QB 2.300 . 3.800 2.409 2.409 2.409 . 0 0 "[ ]" 2
512 4 47 GLU HA 4 47 GLU QG 3.400 . 6.000 2.253 2.253 2.253 . 0 0 "[ ]" 2
513 4 47 GLU H 4 47 GLU QG 2.900 . 5.000 2.012 2.012 2.012 . 0 0 "[ ]" 2
514 4 47 GLU H 4 48 LYS H 2.900 . 5.000 2.913 2.913 2.913 . 0 0 "[ ]" 2
515 4 47 GLU HA 4 48 LYS H 2.900 . 4.000 3.531 3.531 3.531 . 0 0 "[ ]" 2
516 4 47 GLU HA 4 49 ASP H 2.900 . 4.000 4.033 4.033 4.033 0.033 1 0 "[ ]" 2
517 4 47 GLU HA 4 50 ALA H 2.900 . 6.000 4.010 4.010 4.010 . 0 0 "[ ]" 2
518 4 48 LYS H 4 48 LYS HA 2.900 . 4.000 2.956 2.956 2.956 . 0 0 "[ ]" 2
519 4 48 LYS H 4 48 LYS QB 2.300 . 3.800 2.082 2.082 2.082 . 0 0 "[ ]" 2
520 4 48 LYS HA 4 48 LYS QB 2.300 . 3.800 2.534 2.534 2.534 . 0 0 "[ ]" 2
521 4 48 LYS HA 4 48 LYS QG 2.900 . 5.000 1.948 1.948 1.948 . 0 0 "[ ]" 2
522 4 48 LYS H 4 48 LYS QE 2.900 . 5.000 4.895 4.895 4.895 . 0 0 "[ ]" 2
523 4 48 LYS HA 4 48 LYS QE 2.300 . 3.800 2.969 2.969 2.969 . 0 0 "[ ]" 2
524 4 48 LYS H 4 49 ASP H 2.300 . 4.800 2.356 2.356 2.356 . 0 0 "[ ]" 2
525 4 48 LYS QG 4 52 LYS QB 3.400 . 7.000 6.973 6.973 6.973 . 0 0 "[ ]" 2
526 4 48 LYS HA 4 49 ASP H 2.900 . 4.000 3.418 3.418 3.418 . 0 0 "[ ]" 2
527 4 48 LYS HA 4 50 ALA H 2.900 . 5.000 4.500 4.500 4.500 . 0 0 "[ ]" 2
528 4 49 ASP H 4 49 ASP HA 2.300 . 2.800 2.907 2.907 2.907 0.107 1 0 "[ ]" 2
529 4 49 ASP H 4 49 ASP HB3 2.900 . 4.000 3.458 3.458 3.458 . 0 0 "[ ]" 2
530 4 49 ASP H 4 49 ASP HB2 2.900 . 4.000 2.110 2.110 2.110 . 0 0 "[ ]" 2
531 4 49 ASP HA 4 49 ASP HB3 2.900 . 4.000 2.635 2.635 2.635 . 0 0 "[ ]" 2
532 4 49 ASP HA 4 49 ASP HB2 2.900 . 4.000 3.004 3.004 3.004 . 0 0 "[ ]" 2
533 4 49 ASP HA 4 50 ALA H 2.900 . 4.000 3.572 3.572 3.572 . 0 0 "[ ]" 2
534 4 49 ASP H 4 50 ALA H 2.300 . 2.800 2.542 2.542 2.542 . 0 0 "[ ]" 2
535 4 51 PRO HA 4 51 PRO QB 2.300 . 3.800 2.196 2.196 2.196 . 0 0 "[ ]" 2
536 4 51 PRO HA 4 51 PRO QG 2.900 . 5.000 3.514 3.514 3.514 . 0 0 "[ ]" 2
537 4 51 PRO HA 4 52 LYS H 2.900 . 4.000 2.640 2.640 2.640 . 0 0 "[ ]" 2
538 4 51 PRO QB 4 52 LYS H 2.900 . 5.000 4.008 4.008 4.008 . 0 0 "[ ]" 2
539 4 51 PRO QB 4 54 LEU QB 2.900 . 7.400 6.511 6.511 6.511 . 0 0 "[ ]" 2
540 4 52 LYS H 4 52 LYS QB 2.300 . 3.800 2.913 2.913 2.913 . 0 0 "[ ]" 2
541 4 52 LYS HA 4 52 LYS QB 2.300 . 3.800 2.480 2.480 2.480 . 0 0 "[ ]" 2
542 4 52 LYS H 4 53 GLU H 2.900 . 4.000 2.667 2.667 2.667 . 0 0 "[ ]" 2
543 4 52 LYS HA 4 54 LEU H 2.300 . 3.800 3.370 3.370 3.370 . 0 0 "[ ]" 2
544 4 53 GLU HA 4 53 GLU QB 2.300 . 3.800 2.444 2.444 2.444 . 0 0 "[ ]" 2
545 4 53 GLU HA 4 53 GLU QG 2.300 . 3.800 2.722 2.722 2.722 . 0 0 "[ ]" 2
546 4 53 GLU QB 4 53 GLU QG 2.300 . 4.800 2.030 2.030 2.030 . 0 0 "[ ]" 2
547 4 53 GLU H 4 53 GLU QB 3.400 . 6.000 2.291 2.291 2.291 . 0 0 "[ ]" 2
548 4 53 GLU HA 4 56 GLN QB 2.300 . 3.800 3.735 3.735 3.735 . 0 0 "[ ]" 2
549 4 53 GLU H 4 54 LEU H 2.900 . 4.000 2.669 2.669 2.669 . 0 0 "[ ]" 2
550 4 53 GLU H 4 54 LEU QD 3.400 . 7.400 4.993 4.993 4.993 . 0 0 "[ ]" 2
551 4 53 GLU HA 4 54 LEU H 2.900 . 4.000 3.089 3.089 3.089 . 0 0 "[ ]" 2
552 4 54 LEU H 4 54 LEU HA 2.300 . 2.800 2.970 2.970 2.970 0.170 1 0 "[ ]" 2
553 4 54 LEU HA 4 54 LEU QB 2.300 . 3.800 2.366 2.366 2.366 . 0 0 "[ ]" 2
554 4 54 LEU HA 4 54 LEU QD 2.900 . 6.400 2.140 2.140 2.140 . 0 0 "[ ]" 2
555 4 54 LEU QB 4 54 LEU QD 2.300 . 6.200 1.848 1.848 1.848 . 0 0 "[ ]" 2
556 4 54 LEU H 4 54 LEU QD 3.400 . 7.400 3.906 3.906 3.906 . 0 0 "[ ]" 2
557 4 54 LEU H 4 55 LEU HA 2.900 . 6.000 4.749 4.749 4.749 . 0 0 "[ ]" 2
558 4 54 LEU HA 4 55 LEU H 2.900 . 4.000 3.585 3.585 3.585 . 0 0 "[ ]" 2
559 4 54 LEU QD 4 55 LEU HA 3.400 . 7.400 3.977 3.977 3.977 . 0 0 "[ ]" 2
560 4 54 LEU QD 4 57 MET QG 3.400 . 8.400 3.819 3.819 3.819 . 0 0 "[ ]" 2
561 4 54 LEU HA 4 58 LEU QD 3.400 . 8.400 6.520 6.520 6.520 . 0 0 "[ ]" 2
562 4 54 LEU H 4 55 LEU QD 3.400 . 7.400 3.355 3.355 3.355 . 0 0 "[ ]" 2
563 4 54 LEU HA 4 56 GLN H 2.900 . 4.000 3.744 3.744 3.744 . 0 0 "[ ]" 2
564 4 54 LEU HA 4 57 MET H 2.900 . 4.000 3.149 3.149 3.149 . 0 0 "[ ]" 2
565 4 54 LEU HA 4 58 LEU H 2.900 . 5.000 5.034 5.034 5.034 0.034 1 0 "[ ]" 2
566 4 55 LEU H 4 55 LEU HA 2.900 . 4.000 2.786 2.786 2.786 . 0 0 "[ ]" 2
567 4 55 LEU HA 4 55 LEU HG 2.300 . 3.800 3.549 3.549 3.549 . 0 0 "[ ]" 2
568 4 55 LEU HA 4 55 LEU QB 2.300 . 3.800 2.208 2.208 2.208 . 0 0 "[ ]" 2
569 4 55 LEU HA 4 55 LEU QD 2.900 . 6.400 3.344 3.344 3.344 . 0 0 "[ ]" 2
570 4 55 LEU QB 4 55 LEU HG 2.300 . 3.800 2.498 2.498 2.498 . 0 0 "[ ]" 2
571 4 55 LEU H 4 55 LEU HG 2.300 . 2.800 2.084 2.084 2.084 . 0 0 "[ ]" 2
572 4 55 LEU H 4 55 LEU QB 2.300 . 3.800 2.378 2.378 2.378 . 0 0 "[ ]" 2
573 4 55 LEU QB 4 56 GLN H 2.900 . 5.000 3.548 3.548 3.548 . 0 0 "[ ]" 2
574 4 55 LEU H 4 56 GLN H 2.300 . 3.800 2.814 2.814 2.814 . 0 0 "[ ]" 2
575 4 55 LEU HA 4 56 GLN H 2.900 . 4.000 3.491 3.491 3.491 . 0 0 "[ ]" 2
576 4 55 LEU QD 4 56 GLN H 3.400 . 7.400 2.543 2.543 2.543 . 0 0 "[ ]" 2
577 4 55 LEU HA 4 57 MET H 2.900 . 4.000 4.031 4.031 4.031 0.031 1 0 "[ ]" 2
578 4 55 LEU HA 4 58 LEU H 2.900 . 4.000 3.623 3.623 3.623 . 0 0 "[ ]" 2
579 4 56 GLN H 4 56 GLN HA 2.900 . 4.000 2.918 2.918 2.918 . 0 0 "[ ]" 2
580 4 56 GLN H 4 56 GLN QB 2.300 . 3.800 2.146 2.146 2.146 . 0 0 "[ ]" 2
581 4 56 GLN H 4 56 GLN QG 2.300 . 4.800 3.872 3.872 3.872 . 0 0 "[ ]" 2
582 4 56 GLN HA 4 56 GLN QB 2.300 . 3.800 2.324 2.324 2.324 . 0 0 "[ ]" 2
583 4 56 GLN HA 4 56 GLN QG 2.900 . 5.000 2.597 2.597 2.597 . 0 0 "[ ]" 2
584 4 56 GLN QB 4 56 GLN QG 2.300 . 4.800 2.051 2.051 2.051 . 0 0 "[ ]" 2
585 4 56 GLN QB 4 57 MET H 2.300 . 3.800 2.884 2.884 2.884 . 0 0 "[ ]" 2
586 4 56 GLN QG 4 57 MET H 2.900 . 5.000 3.697 3.697 3.697 . 0 0 "[ ]" 2
587 4 56 GLN QB 4 58 LEU HA 2.300 . 7.800 7.134 7.134 7.134 . 0 0 "[ ]" 2
588 4 56 GLN QG 4 61 GLN H 2.900 . 6.000 6.015 6.015 6.015 0.015 1 0 "[ ]" 2
589 4 56 GLN H 4 57 MET H 2.300 . 2.800 2.451 2.451 2.451 . 0 0 "[ ]" 2
590 4 56 GLN HA 4 57 MET H 3.400 . 8.400 3.498 3.498 3.498 . 0 0 "[ ]" 2
591 4 56 GLN HA 4 58 LEU H 2.900 . 4.000 4.029 4.029 4.029 0.029 1 0 "[ ]" 2
592 4 56 GLN HA 4 59 GLU H 2.900 . 4.000 3.027 3.027 3.027 . 0 0 "[ ]" 2
593 4 56 GLN HA 4 60 LYS H 2.900 . 4.500 4.495 4.495 4.495 . 0 0 "[ ]" 2
594 4 57 MET H 4 57 MET HA 2.900 . 4.000 2.880 2.880 2.880 . 0 0 "[ ]" 2
595 4 57 MET H 4 57 MET QB 2.300 . 3.800 2.136 2.136 2.136 . 0 0 "[ ]" 2
596 4 57 MET H 4 57 MET QG 2.300 . 3.800 3.871 3.871 3.871 0.071 1 0 "[ ]" 2
597 4 57 MET HA 4 57 MET QB 2.300 . 3.800 2.325 2.325 2.325 . 0 0 "[ ]" 2
598 4 57 MET HA 4 57 MET QG 2.300 . 3.800 2.435 2.435 2.435 . 0 0 "[ ]" 2
599 4 57 MET QB 4 57 MET QG 2.300 . 4.800 2.078 2.078 2.078 . 0 0 "[ ]" 2
600 4 57 MET QB 4 57 MET ME 2.900 . 5.300 3.542 3.542 3.542 . 0 0 "[ ]" 2
601 4 57 MET ME 4 57 MET QG 2.900 . 5.300 2.159 2.159 2.159 . 0 0 "[ ]" 2
602 4 57 MET HA 4 58 LEU H 3.400 . 5.000 3.518 3.518 3.518 . 0 0 "[ ]" 2
603 4 57 MET QB 4 58 LEU QD 3.400 . 8.400 4.487 4.487 4.487 . 0 0 "[ ]" 2
604 4 57 MET QG 4 58 LEU QD 3.400 . 8.400 3.812 3.812 3.812 . 0 0 "[ ]" 2
605 4 57 MET H 4 58 LEU H 2.300 . 2.800 2.551 2.551 2.551 . 0 0 "[ ]" 2
606 4 57 MET QB 4 58 LEU H 2.900 . 5.000 2.697 2.697 2.697 . 0 0 "[ ]" 2
607 4 57 MET HA 4 59 GLU H 2.900 . 4.000 4.029 4.029 4.029 0.029 1 0 "[ ]" 2
608 4 57 MET HA 4 60 LYS H 2.900 . 4.000 4.021 4.021 4.021 0.021 1 0 "[ ]" 2
609 4 58 LEU H 4 58 LEU HA 2.300 . 2.800 2.942 2.942 2.942 0.142 1 0 "[ ]" 2
610 4 58 LEU H 4 58 LEU QB 2.300 . 3.800 2.229 2.229 2.229 . 0 0 "[ ]" 2
611 4 58 LEU HA 4 58 LEU QB 2.300 . 3.800 2.437 2.437 2.437 . 0 0 "[ ]" 2
612 4 58 LEU HA 4 58 LEU QD 2.300 . 5.200 2.094 2.094 2.094 . 0 0 "[ ]" 2
613 4 58 LEU QB 4 58 LEU QD 2.300 . 6.200 1.861 1.861 1.861 . 0 0 "[ ]" 2
614 4 58 LEU H 4 58 LEU QD 3.400 . 7.400 3.620 3.620 3.620 . 0 0 "[ ]" 2
615 4 58 LEU HA 4 59 GLU H 2.300 . 3.800 3.422 3.422 3.422 . 0 0 "[ ]" 2
616 4 58 LEU QB 4 59 GLU H 2.900 . 5.000 3.052 3.052 3.052 . 0 0 "[ ]" 2
617 4 58 LEU H 4 59 GLU H 2.300 . 2.800 2.297 2.297 2.297 . 0 0 "[ ]" 2
618 4 58 LEU HA 4 61 GLN H 2.300 . 2.800 2.895 2.895 2.895 0.095 1 0 "[ ]" 2
619 4 58 LEU HA 4 62 LYS H 2.300 . 2.800 2.856 2.856 2.856 0.056 1 0 "[ ]" 2
620 4 58 LEU QD 4 59 GLU H 3.400 . 7.400 4.278 4.278 4.278 . 0 0 "[ ]" 2
621 4 59 GLU H 4 59 GLU HA 2.900 . 4.000 2.883 2.883 2.883 . 0 0 "[ ]" 2
622 4 59 GLU H 4 59 GLU QB 2.300 . 3.800 2.021 2.021 2.021 . 0 0 "[ ]" 2
623 4 59 GLU HA 4 59 GLU QB 2.300 . 3.800 2.517 2.517 2.517 . 0 0 "[ ]" 2
624 4 59 GLU QB 4 59 GLU QG 2.300 . 4.800 2.058 2.058 2.058 . 0 0 "[ ]" 2
625 4 59 GLU HA 4 59 GLU QG 3.400 . 6.000 2.002 2.002 2.002 . 0 0 "[ ]" 2
626 4 59 GLU QB 4 60 LYS H 2.300 . 3.800 2.498 2.498 2.498 . 0 0 "[ ]" 2
627 4 59 GLU H 4 60 LYS H 2.300 . 2.800 2.595 2.595 2.595 . 0 0 "[ ]" 2
628 4 59 GLU HA 4 60 LYS H 2.900 . 4.000 3.552 3.552 3.552 . 0 0 "[ ]" 2
629 4 60 LYS H 4 60 LYS QB 2.300 . 3.800 2.192 2.192 2.192 . 0 0 "[ ]" 2
630 4 60 LYS HA 4 60 LYS QB 2.300 . 3.800 2.442 2.442 2.442 . 0 0 "[ ]" 2
631 4 60 LYS H 4 60 LYS HA 2.900 . 4.000 2.962 2.962 2.962 . 0 0 "[ ]" 2
632 4 60 LYS H 4 61 GLN H 2.300 . 2.800 2.289 2.289 2.289 . 0 0 "[ ]" 2
633 4 60 LYS H 4 63 LYS HA 2.300 . 4.300 4.325 4.325 4.325 0.025 1 0 "[ ]" 2
634 4 61 GLN H 4 61 GLN QB 2.300 . 3.800 2.107 2.107 2.107 . 0 0 "[ ]" 2
635 4 61 GLN HA 4 61 GLN QB 2.300 . 3.800 2.493 2.493 2.493 . 0 0 "[ ]" 2
636 4 61 GLN QB 4 61 GLN QG 2.300 . 4.800 2.047 2.047 2.047 . 0 0 "[ ]" 2
637 4 61 GLN H 4 63 LYS HA 2.300 . 3.800 3.960 3.960 3.960 0.160 1 0 "[ ]" 2
638 4 62 LYS H 4 62 LYS HA 2.300 . 2.800 2.874 2.874 2.874 0.074 1 0 "[ ]" 2
639 4 62 LYS HA 4 63 LYS H 2.900 . 4.000 3.393 3.393 3.393 . 0 0 "[ ]" 2
640 4 62 LYS H 4 63 LYS H 2.900 . 4.000 2.535 2.535 2.535 . 0 0 "[ ]" 2
641 4 63 LYS H 4 63 LYS HA 2.300 . 2.800 2.331 2.331 2.331 . 0 0 "[ ]" 2
642 4 63 LYS H 4 63 LYS QB 2.300 . 3.800 2.899 2.899 2.899 . 0 0 "[ ]" 2
643 4 63 LYS HA 4 63 LYS QB 2.300 . 3.800 2.374 2.374 2.374 . 0 0 "[ ]" 2
644 4 63 LYS HA 4 63 LYS QG 2.300 . 3.800 2.460 2.460 2.460 . 0 0 "[ ]" 2
645 4 63 LYS QB 4 63 LYS QG 2.300 . 4.800 2.096 2.096 2.096 . 0 0 "[ ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 44
_Distance_constraint_stats_list.Viol_count 24
_Distance_constraint_stats_list.Viol_total 74.763
_Distance_constraint_stats_list.Viol_max 9.978
_Distance_constraint_stats_list.Viol_rms 3.2441
_Distance_constraint_stats_list.Viol_average_all_restraints 1.6992
_Distance_constraint_stats_list.Viol_average_violations_only 3.1151
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 DA 0.053 0.053 1 0 "[ ]"
1 4 DG 0.000 0.000 . 0 "[ ]"
1 5 DC 0.243 0.225 1 0 "[ ]"
1 6 DG 0.425 0.312 1 0 "[ ]"
1 7 DC 7.042 3.475 1 1 [+]
1 8 DG 29.631 9.978 1 1 [+]
2 3 DA 0.053 0.053 1 0 "[ ]"
2 4 DG 0.000 0.000 . 0 "[ ]"
2 5 DC 0.243 0.224 1 0 "[ ]"
2 6 DG 0.423 0.313 1 0 "[ ]"
2 7 DC 7.043 3.475 1 1 [+]
2 8 DG 29.606 9.972 1 1 [+]
3 7 TYR 0.053 0.053 1 0 "[ ]"
3 8 LYS 0.000 0.000 . 0 "[ ]"
3 23 TRP 28.268 9.978 1 1 [+]
3 25 VAL 8.717 3.475 1 1 [+]
3 28 MET 0.018 0.018 1 0 "[ ]"
3 44 ALA 0.338 0.225 1 0 "[ ]"
4 7 TYR 0.053 0.053 1 0 "[ ]"
4 8 LYS 0.000 0.000 . 0 "[ ]"
4 23 TRP 28.251 9.972 1 1 [+]
4 25 VAL 8.711 3.475 1 1 [+]
4 28 MET 0.019 0.019 1 0 "[ ]"
4 44 ALA 0.335 0.224 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 DG H1' 3 23 TRP HE1 3.200 . 4.800 14.778 14.778 14.778 9.978 1 1 [+] 3
2 1 8 DG H1' 3 23 TRP HD1 3.200 . 4.800 14.097 14.097 14.097 9.297 1 1 [+] 3
3 1 8 DG H4' 3 23 TRP HD1 2.900 . 4.300 13.293 13.293 13.293 8.993 1 1 [+] 3
4 1 7 DC H1' 3 25 VAL QG 3.400 . 5.800 5.254 5.254 5.254 . 0 0 "[ ]" 3
5 1 6 DG H1' 3 25 VAL QG 3.400 . 5.000 5.312 5.312 5.312 0.312 1 0 "[ ]" 3
6 1 7 DC H3' 3 25 VAL QG 2.900 . 4.300 7.775 7.775 7.775 3.475 1 1 [+] 3
7 1 8 DG H1' 3 25 VAL QG 3.400 . 6.000 7.363 7.363 7.363 1.363 1 1 [+] 3
8 1 5 DC H1' 3 25 VAL QG 3.400 . 6.200 5.992 5.992 5.992 . 0 0 "[ ]" 3
9 1 7 DC Q2' 3 25 VAL QG 2.900 . 4.300 5.981 5.981 5.981 1.681 1 1 [+] 3
10 1 7 DC H6 3 25 VAL QG 3.400 . 5.800 7.686 7.686 7.686 1.886 1 1 [+] 3
11 1 5 DC H6 3 44 ALA MB 3.400 . 6.000 5.497 5.497 5.497 . 0 0 "[ ]" 3
12 1 5 DC H1' 3 44 ALA MB 2.900 . 4.300 2.527 2.527 2.527 . 0 0 "[ ]" 3
13 1 5 DC H2' 3 44 ALA MB 2.900 . 4.300 4.525 4.525 4.525 0.225 1 0 "[ ]" 3
14 1 5 DC H2'' 3 44 ALA MB 3.400 . 5.000 3.335 3.335 3.335 . 0 0 "[ ]" 3
15 1 5 DC H3' 3 44 ALA MB 3.400 . 5.000 4.816 4.816 4.816 . 0 0 "[ ]" 3
16 1 5 DC H4' 3 44 ALA MB 2.900 . 4.300 3.445 3.445 3.445 . 0 0 "[ ]" 3
17 1 6 DG H3' 3 44 ALA MB 3.400 . 6.000 6.113 6.113 6.113 0.113 1 0 "[ ]" 3
18 2 8 DG H1' 4 23 TRP HE1 3.200 . 4.800 14.772 14.772 14.772 9.972 1 1 [+] 3
19 2 8 DG H1' 4 23 TRP HD1 3.200 . 4.800 14.093 14.093 14.093 9.293 1 1 [+] 3
20 2 8 DG H4' 4 23 TRP HD1 2.900 . 4.300 13.285 13.285 13.285 8.985 1 1 [+] 3
21 2 7 DC H1' 4 25 VAL QG 3.400 . 5.800 5.254 5.254 5.254 . 0 0 "[ ]" 3
22 2 6 DG H1' 4 25 VAL QG 3.400 . 5.000 5.313 5.313 5.313 0.313 1 0 "[ ]" 3
23 2 7 DC H3' 4 25 VAL QG 2.900 . 4.300 7.775 7.775 7.775 3.475 1 1 [+] 3
24 2 8 DG H1' 4 25 VAL QG 3.400 . 6.000 7.356 7.356 7.356 1.356 1 1 [+] 3
25 2 5 DC H1' 4 25 VAL QG 3.400 . 6.200 5.994 5.994 5.994 . 0 0 "[ ]" 3
26 2 7 DC Q2' 4 25 VAL QG 2.900 . 4.300 5.980 5.980 5.980 1.680 1 1 [+] 3
27 2 7 DC H6 4 25 VAL QG 3.400 . 5.800 7.688 7.688 7.688 1.888 1 1 [+] 3
28 2 5 DC H6 4 44 ALA MB 3.400 . 6.000 5.494 5.494 5.494 . 0 0 "[ ]" 3
29 2 5 DC H1' 4 44 ALA MB 2.900 . 4.300 2.524 2.524 2.524 . 0 0 "[ ]" 3
30 2 5 DC H2' 4 44 ALA MB 2.900 . 4.300 4.524 4.524 4.524 0.224 1 0 "[ ]" 3
31 2 5 DC H2'' 4 44 ALA MB 3.400 . 5.000 3.336 3.336 3.336 . 0 0 "[ ]" 3
32 2 5 DC H3' 4 44 ALA MB 3.400 . 5.000 4.815 4.815 4.815 . 0 0 "[ ]" 3
33 2 5 DC H4' 4 44 ALA MB 2.900 . 4.300 3.444 3.444 3.444 . 0 0 "[ ]" 3
34 2 6 DG H3' 4 44 ALA MB 3.400 . 6.000 6.111 6.111 6.111 0.111 1 0 "[ ]" 3
35 1 4 DG H1' 3 7 TYR QE 3.400 . 6.000 3.014 3.014 3.014 . 0 0 "[ ]" 3
36 2 4 DG H1' 4 7 TYR QE 3.400 . 6.000 3.014 3.014 3.014 . 0 0 "[ ]" 3
37 1 4 DG H4' 3 8 LYS H 3.400 . 5.000 3.989 3.989 3.989 . 0 0 "[ ]" 3
38 2 4 DG H4' 4 8 LYS H 3.400 . 5.000 3.986 3.986 3.986 . 0 0 "[ ]" 3
39 1 4 DG H4' 3 7 TYR QE 3.400 . 5.000 3.283 3.283 3.283 . 0 0 "[ ]" 3
40 2 4 DG H4' 4 7 TYR QE 3.400 . 5.000 3.285 3.285 3.285 . 0 0 "[ ]" 3
41 1 3 DA H2 3 7 TYR QE 3.400 . 5.000 5.053 5.053 5.053 0.053 1 0 "[ ]" 3
42 2 3 DA H2 4 7 TYR QE 3.400 . 5.000 5.053 5.053 5.053 0.053 1 0 "[ ]" 3
43 1 5 DC H1' 3 28 MET ME 3.400 . 5.000 5.018 5.018 5.018 0.018 1 0 "[ ]" 3
44 2 5 DC H1' 4 28 MET ME 3.400 . 5.000 5.019 5.019 5.019 0.019 1 0 "[ ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 662
_Distance_constraint_stats_list.Viol_count 164
_Distance_constraint_stats_list.Viol_total 22.483
_Distance_constraint_stats_list.Viol_max 0.460
_Distance_constraint_stats_list.Viol_rms 0.0856
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0340
_Distance_constraint_stats_list.Viol_average_violations_only 0.1371
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DC 0.548 0.380 1 0 "[ ]"
1 2 DT 1.077 0.395 1 0 "[ ]"
1 3 DA 1.112 0.404 1 0 "[ ]"
1 4 DG 1.130 0.341 1 0 "[ ]"
1 5 DC 0.659 0.300 1 0 "[ ]"
1 6 DG 1.556 0.422 1 0 "[ ]"
1 7 DC 1.127 0.439 1 0 "[ ]"
1 8 DG 1.802 0.329 1 0 "[ ]"
1 9 DC 1.111 0.306 1 0 "[ ]"
1 10 DT 0.848 0.244 1 0 "[ ]"
1 11 DA 1.531 0.460 1 0 "[ ]"
1 12 DG 0.862 0.306 1 0 "[ ]"
2 1 DC 0.551 0.380 1 0 "[ ]"
2 2 DT 1.080 0.395 1 0 "[ ]"
2 3 DA 1.112 0.405 1 0 "[ ]"
2 4 DG 1.126 0.340 1 0 "[ ]"
2 5 DC 0.662 0.300 1 0 "[ ]"
2 6 DG 1.564 0.423 1 0 "[ ]"
2 7 DC 1.133 0.441 1 0 "[ ]"
2 8 DG 1.809 0.330 1 0 "[ ]"
2 9 DC 0.963 0.287 1 0 "[ ]"
2 10 DT 0.846 0.243 1 0 "[ ]"
2 11 DA 1.524 0.459 1 0 "[ ]"
2 12 DG 0.858 0.306 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DC H5 1 1 DC H6 3.400 . 5.000 2.454 2.454 2.454 . 0 0 "[ ]" 4
2 1 1 DC H1' 1 1 DC H6 3.400 . 5.000 3.699 3.699 3.699 . 0 0 "[ ]" 4
3 1 1 DC H2'' 1 1 DC H6 3.400 . 5.000 3.760 3.760 3.760 . 0 0 "[ ]" 4
4 1 1 DC H2' 1 1 DC H6 2.150 . 2.500 2.261 2.261 2.261 . 0 0 "[ ]" 4
5 1 1 DC H3' 1 1 DC H6 2.150 . 2.500 2.531 2.531 2.531 0.031 1 0 "[ ]" 4
6 1 1 DC H4' 1 1 DC H6 3.400 . 5.000 4.502 4.502 4.502 . 0 0 "[ ]" 4
7 1 1 DC H5' 1 1 DC H6 3.400 . 5.000 3.110 3.110 3.110 . 0 0 "[ ]" 4
8 1 1 DC H5'' 1 1 DC H6 3.400 . 5.000 4.646 4.646 4.646 . 0 0 "[ ]" 4
9 1 1 DC H1' 1 1 DC H2' 3.400 . 5.000 2.864 2.864 2.864 . 0 0 "[ ]" 4
10 1 1 DC H1' 1 1 DC H2'' 2.150 . 2.500 2.264 2.264 2.264 . 0 0 "[ ]" 4
11 1 1 DC H1' 1 1 DC H3' 2.150 . 3.500 3.880 3.880 3.880 0.380 1 0 "[ ]" 4
12 1 1 DC H1' 1 1 DC H4' 3.550 3.200 3.900 3.155 3.155 3.155 0.045 1 0 "[ ]" 4
13 1 1 DC H2' 1 1 DC H2'' 2.150 . 2.500 1.771 1.771 1.771 0.029 1 0 "[ ]" 4
14 1 1 DC H2' 1 1 DC H3' 3.400 . 5.000 2.268 2.268 2.268 . 0 0 "[ ]" 4
15 1 1 DC H2'' 1 1 DC H3' 3.400 . 5.000 2.936 2.936 2.936 . 0 0 "[ ]" 4
16 1 1 DC H5 1 2 DT M7 3.400 . 5.500 2.660 2.660 2.660 . 0 0 "[ ]" 4
17 1 1 DC H6 1 2 DT M7 2.400 . 3.500 2.137 2.137 2.137 . 0 0 "[ ]" 4
18 1 1 DC H1' 1 2 DT M7 3.400 . 5.500 4.388 4.388 4.388 . 0 0 "[ ]" 4
19 1 1 DC H1' 1 2 DT H6 3.400 . 5.000 4.884 4.884 4.884 . 0 0 "[ ]" 4
20 1 1 DC H2' 1 2 DT H6 3.400 . 5.000 2.702 2.702 2.702 . 0 0 "[ ]" 4
21 1 1 DC H2'' 1 2 DT M7 3.400 . 5.500 3.353 3.353 3.353 . 0 0 "[ ]" 4
22 1 1 DC H2'' 1 2 DT H6 2.400 . 3.000 3.038 3.038 3.038 0.038 1 0 "[ ]" 4
23 1 1 DC H3' 1 2 DT M7 2.400 . 3.500 2.836 2.836 2.836 . 0 0 "[ ]" 4
24 1 1 DC H3' 1 2 DT H6 3.400 . 5.000 4.322 4.322 4.322 . 0 0 "[ ]" 4
25 1 1 DC H6 1 2 DT H5' 3.800 3.800 13.790 7.003 7.003 7.003 . 0 0 "[ ]" 4
26 1 1 DC H6 1 2 DT H5'' 3.800 3.800 13.790 7.219 7.219 7.219 . 0 0 "[ ]" 4
27 1 1 DC H2' 1 2 DT H5' 3.300 3.300 13.290 4.898 4.898 4.898 . 0 0 "[ ]" 4
28 1 1 DC H2'' 1 2 DT H5' 3.300 3.300 13.290 3.274 3.274 3.274 0.026 1 0 "[ ]" 4
29 1 1 DC H2' 1 2 DT H5'' 3.300 3.300 13.290 5.079 5.079 5.079 . 0 0 "[ ]" 4
30 1 1 DC H2'' 1 2 DT H5'' 3.300 3.300 13.290 3.853 3.853 3.853 . 0 0 "[ ]" 4
31 1 1 DC H3' 1 2 DT P 3.020 2.800 3.250 3.007 3.007 3.007 . 0 0 "[ ]" 4
32 1 2 DT H6 1 2 DT M7 2.150 . 3.000 2.241 2.241 2.241 . 0 0 "[ ]" 4
33 1 2 DT H3' 1 2 DT M7 2.150 . 4.000 4.053 4.053 4.053 0.053 1 0 "[ ]" 4
34 1 2 DT H1' 1 2 DT H6 2.150 . 3.500 3.653 3.653 3.653 0.153 1 0 "[ ]" 4
35 1 2 DT H2' 1 2 DT H6 2.150 . 3.500 2.219 2.219 2.219 . 0 0 "[ ]" 4
36 1 2 DT H2'' 1 2 DT H6 3.150 2.650 3.650 3.684 3.684 3.684 0.034 1 0 "[ ]" 4
37 1 2 DT H3' 1 2 DT H6 2.150 . 2.500 2.462 2.462 2.462 . 0 0 "[ ]" 4
38 1 2 DT H1' 1 2 DT H2' 2.150 . 2.500 2.822 2.822 2.822 0.322 1 0 "[ ]" 4
39 1 2 DT H1' 1 2 DT H2'' 2.150 . 2.500 2.260 2.260 2.260 . 0 0 "[ ]" 4
40 1 2 DT H1' 1 2 DT H3' 3.400 . 5.000 3.913 3.913 3.913 . 0 0 "[ ]" 4
41 1 2 DT H2' 1 2 DT H2'' 2.150 . 2.500 1.750 1.750 1.750 0.050 1 0 "[ ]" 4
42 1 2 DT H2' 1 2 DT H3' 2.150 . 2.500 2.268 2.268 2.268 . 0 0 "[ ]" 4
43 1 2 DT H2'' 1 2 DT H3' 2.150 . 2.500 2.895 2.895 2.895 0.395 1 0 "[ ]" 4
44 1 2 DT H5' 1 2 DT H6 3.800 3.800 13.790 4.491 4.491 4.491 . 0 0 "[ ]" 4
45 1 2 DT H5'' 1 2 DT H6 3.800 3.800 13.790 4.053 4.053 4.053 . 0 0 "[ ]" 4
46 1 2 DT H2' 1 2 DT H5' 3.300 3.300 13.290 5.189 5.189 5.189 . 0 0 "[ ]" 4
47 1 2 DT H2'' 1 2 DT H5' 3.300 3.300 13.290 5.181 5.181 5.181 . 0 0 "[ ]" 4
48 1 2 DT H2' 1 2 DT H5'' 3.300 3.300 13.290 4.526 4.526 4.526 . 0 0 "[ ]" 4
49 1 2 DT H2'' 1 2 DT H5'' 3.300 3.300 13.290 4.695 4.695 4.695 . 0 0 "[ ]" 4
50 1 2 DT H6 1 3 DA H8 3.400 . 5.000 4.763 4.763 4.763 . 0 0 "[ ]" 4
51 1 2 DT H1' 1 3 DA H8 3.400 . 5.000 4.432 4.432 4.432 . 0 0 "[ ]" 4
52 1 2 DT H2' 1 3 DA H8 3.400 . 5.000 2.624 2.624 2.624 . 0 0 "[ ]" 4
53 1 2 DT H2'' 1 3 DA H8 3.400 . 5.000 2.392 2.392 2.392 . 0 0 "[ ]" 4
54 1 2 DT H3' 1 3 DA H8 3.400 . 5.000 3.991 3.991 3.991 . 0 0 "[ ]" 4
55 1 2 DT H6 1 3 DA H5' 3.800 3.800 13.790 6.598 6.598 6.598 . 0 0 "[ ]" 4
56 1 2 DT H6 1 3 DA H5'' 3.800 3.800 13.790 7.506 7.506 7.506 . 0 0 "[ ]" 4
57 1 2 DT H2' 1 3 DA H5' 3.300 3.300 13.290 4.813 4.813 4.813 . 0 0 "[ ]" 4
58 1 2 DT H2'' 1 3 DA H5' 3.300 3.300 13.290 3.293 3.293 3.293 0.007 1 0 "[ ]" 4
59 1 2 DT H2' 1 3 DA H5'' 3.300 3.300 13.290 5.516 5.516 5.516 . 0 0 "[ ]" 4
60 1 2 DT H2'' 1 3 DA H5'' 3.300 3.300 13.290 4.217 4.217 4.217 . 0 0 "[ ]" 4
61 1 2 DT H3' 1 3 DA P 3.020 2.800 3.250 2.853 2.853 2.853 . 0 0 "[ ]" 4
62 1 3 DA H1' 1 3 DA H8 2.400 . 4.000 3.841 3.841 3.841 . 0 0 "[ ]" 4
63 1 3 DA H2' 1 3 DA H8 2.400 . 4.000 2.742 2.742 2.742 . 0 0 "[ ]" 4
64 1 3 DA H2'' 1 3 DA H8 3.400 2.800 4.000 4.173 4.173 4.173 0.173 1 0 "[ ]" 4
65 1 3 DA H3' 1 3 DA H8 3.400 . 5.000 3.895 3.895 3.895 . 0 0 "[ ]" 4
66 1 3 DA H4' 1 3 DA H8 2.150 . 4.500 4.520 4.520 4.520 0.020 1 0 "[ ]" 4
67 1 3 DA H1' 1 3 DA H2' 2.150 . 2.500 2.904 2.904 2.904 0.404 1 0 "[ ]" 4
68 1 3 DA H1' 1 3 DA H2'' 2.150 . 2.500 2.245 2.245 2.245 . 0 0 "[ ]" 4
69 1 3 DA H1' 1 3 DA H3' 3.400 . 5.000 3.942 3.942 3.942 . 0 0 "[ ]" 4
70 1 3 DA H1' 1 3 DA H4' 3.550 3.200 3.900 3.473 3.473 3.473 . 0 0 "[ ]" 4
71 1 3 DA H2' 1 3 DA H2'' 2.150 . 2.500 1.740 1.740 1.740 0.060 1 0 "[ ]" 4
72 1 3 DA H2' 1 3 DA H3' 2.150 . 2.500 2.312 2.312 2.312 . 0 0 "[ ]" 4
73 1 3 DA H2'' 1 3 DA H3' 2.150 . 2.500 2.743 2.743 2.743 0.243 1 0 "[ ]" 4
74 1 3 DA H5' 1 3 DA H8 3.800 3.800 13.790 3.927 3.927 3.927 . 0 0 "[ ]" 4
75 1 3 DA H5'' 1 3 DA H8 3.800 3.800 13.790 3.774 3.774 3.774 0.026 1 0 "[ ]" 4
76 1 3 DA H2' 1 3 DA H5' 3.300 3.300 13.290 4.658 4.658 4.658 . 0 0 "[ ]" 4
77 1 3 DA H2'' 1 3 DA H5' 3.300 3.300 13.290 5.308 5.308 5.308 . 0 0 "[ ]" 4
78 1 3 DA H2' 1 3 DA H5'' 3.300 3.300 13.290 3.766 3.766 3.766 . 0 0 "[ ]" 4
79 1 3 DA H2'' 1 3 DA H5'' 3.300 3.300 13.290 4.578 4.578 4.578 . 0 0 "[ ]" 4
80 1 3 DA H8 1 4 DG H8 3.400 . 5.000 4.985 4.985 4.985 . 0 0 "[ ]" 4
81 1 3 DA H1' 1 4 DG H8 3.400 . 5.000 3.709 3.709 3.709 . 0 0 "[ ]" 4
82 1 3 DA H2' 1 4 DG H8 2.150 . 2.500 2.636 2.636 2.636 0.136 1 0 "[ ]" 4
83 1 3 DA H2'' 1 4 DG H8 2.150 . 2.500 2.137 2.137 2.137 . 0 0 "[ ]" 4
84 1 3 DA H3' 1 4 DG H8 3.400 . 5.000 4.356 4.356 4.356 . 0 0 "[ ]" 4
85 1 3 DA H8 1 4 DG H5' 2.900 2.900 12.890 6.280 6.280 6.280 . 0 0 "[ ]" 4
86 1 3 DA H8 1 4 DG H5'' 2.900 2.900 12.890 7.459 7.459 7.459 . 0 0 "[ ]" 4
87 1 3 DA H2' 1 4 DG H5' 2.900 2.900 12.890 4.473 4.473 4.473 . 0 0 "[ ]" 4
88 1 3 DA H2'' 1 4 DG H5' 2.900 2.900 12.890 2.857 2.857 2.857 0.043 1 0 "[ ]" 4
89 1 3 DA H2' 1 4 DG H5'' 2.900 2.900 12.890 5.297 5.297 5.297 . 0 0 "[ ]" 4
90 1 3 DA H2'' 1 4 DG H5'' 2.900 2.900 12.890 3.581 3.581 3.581 . 0 0 "[ ]" 4
91 1 3 DA H3' 1 4 DG P 3.020 2.800 3.250 3.004 3.004 3.004 . 0 0 "[ ]" 4
92 1 4 DG H1' 1 4 DG H8 3.400 . 5.000 3.841 3.841 3.841 . 0 0 "[ ]" 4
93 1 4 DG H2' 1 4 DG H8 2.150 . 3.500 2.305 2.305 2.305 . 0 0 "[ ]" 4
94 1 4 DG H2'' 1 4 DG H8 3.500 3.150 3.850 3.878 3.878 3.878 0.028 1 0 "[ ]" 4
95 1 4 DG H3' 1 4 DG H8 2.400 . 3.000 3.073 3.073 3.073 0.073 1 0 "[ ]" 4
96 1 4 DG H1' 1 4 DG H2' 2.150 . 2.500 2.839 2.839 2.839 0.339 1 0 "[ ]" 4
97 1 4 DG H1' 1 4 DG H2'' 2.150 . 2.500 2.249 2.249 2.249 . 0 0 "[ ]" 4
98 1 4 DG H1' 1 4 DG H3' 3.400 . 5.000 3.966 3.966 3.966 . 0 0 "[ ]" 4
99 1 4 DG H2' 1 4 DG H2'' 2.150 . 2.500 1.747 1.747 1.747 0.053 1 0 "[ ]" 4
100 1 4 DG H2' 1 4 DG H3' 2.150 . 2.500 2.254 2.254 2.254 . 0 0 "[ ]" 4
101 1 4 DG H2'' 1 4 DG H3' 2.150 . 2.500 2.841 2.841 2.841 0.341 1 0 "[ ]" 4
102 1 4 DG H5' 1 4 DG H8 2.900 2.900 12.890 3.945 3.945 3.945 . 0 0 "[ ]" 4
103 1 4 DG H5'' 1 4 DG H8 2.900 2.900 12.890 4.649 4.649 4.649 . 0 0 "[ ]" 4
104 1 4 DG H2' 1 4 DG H5' 2.900 2.900 12.890 4.627 4.627 4.627 . 0 0 "[ ]" 4
105 1 4 DG H2'' 1 4 DG H5' 2.900 2.900 12.890 5.066 5.066 5.066 . 0 0 "[ ]" 4
106 1 4 DG H2' 1 4 DG H5'' 2.900 2.900 12.890 4.776 4.776 4.776 . 0 0 "[ ]" 4
107 1 4 DG H2'' 1 4 DG H5'' 2.900 2.900 12.890 5.038 5.038 5.038 . 0 0 "[ ]" 4
108 1 4 DG H8 1 5 DC H5 3.400 . 5.000 3.800 3.800 3.800 . 0 0 "[ ]" 4
109 1 4 DG H8 1 5 DC H6 3.400 . 5.400 5.489 5.489 5.489 0.089 1 0 "[ ]" 4
110 1 4 DG H2' 1 5 DC H6 3.400 . 5.000 3.238 3.238 3.238 . 0 0 "[ ]" 4
111 1 4 DG H2'' 1 5 DC H5 3.400 . 5.000 2.811 2.811 2.811 . 0 0 "[ ]" 4
112 1 4 DG H2'' 1 5 DC H6 3.400 . 5.000 2.314 2.314 2.314 . 0 0 "[ ]" 4
113 1 4 DG H3' 1 5 DC H6 3.400 . 5.000 4.550 4.550 4.550 . 0 0 "[ ]" 4
114 1 4 DG H8 1 5 DC H5' 2.900 2.900 12.890 6.459 6.459 6.459 . 0 0 "[ ]" 4
115 1 4 DG H8 1 5 DC H5'' 2.900 2.900 12.890 7.510 7.510 7.510 . 0 0 "[ ]" 4
116 1 4 DG H2' 1 5 DC H5' 2.900 2.900 12.890 4.560 4.560 4.560 . 0 0 "[ ]" 4
117 1 4 DG H2'' 1 5 DC H5' 2.900 2.900 12.890 2.871 2.871 2.871 0.029 1 0 "[ ]" 4
118 1 4 DG H2' 1 5 DC H5'' 2.900 2.900 12.890 5.435 5.435 5.435 . 0 0 "[ ]" 4
119 1 4 DG H2'' 1 5 DC H5'' 2.900 2.900 12.890 3.841 3.841 3.841 . 0 0 "[ ]" 4
120 1 4 DG H3' 1 5 DC P 3.020 2.800 3.250 2.966 2.966 2.966 . 0 0 "[ ]" 4
121 1 5 DC H5 1 5 DC H6 2.150 . 2.500 2.448 2.448 2.448 . 0 0 "[ ]" 4
122 1 5 DC H1' 1 5 DC H6 3.400 . 5.000 3.735 3.735 3.735 . 0 0 "[ ]" 4
123 1 5 DC H2' 1 5 DC H6 2.150 . 3.500 2.177 2.177 2.177 . 0 0 "[ ]" 4
124 1 5 DC H2'' 1 5 DC H6 3.500 3.150 3.850 3.729 3.729 3.729 . 0 0 "[ ]" 4
125 1 5 DC H3' 1 5 DC H6 2.400 . 3.000 3.032 3.032 3.032 0.032 1 0 "[ ]" 4
126 1 5 DC H1' 1 5 DC H2' 2.400 . 3.000 2.885 2.885 2.885 . 0 0 "[ ]" 4
127 1 5 DC H1' 1 5 DC H2'' 3.400 . 5.000 2.265 2.265 2.265 . 0 0 "[ ]" 4
128 1 5 DC H1' 1 5 DC H3' 3.400 . 5.000 4.007 4.007 4.007 . 0 0 "[ ]" 4
129 1 5 DC H2' 1 5 DC H2'' 2.150 . 2.500 1.754 1.754 1.754 0.046 1 0 "[ ]" 4
130 1 5 DC H2' 1 5 DC H3' 2.150 . 2.500 2.264 2.264 2.264 . 0 0 "[ ]" 4
131 1 5 DC H2'' 1 5 DC H3' 2.150 . 2.500 2.800 2.800 2.800 0.300 1 0 "[ ]" 4
132 1 5 DC H5' 1 5 DC H6 2.900 2.900 12.890 3.726 3.726 3.726 . 0 0 "[ ]" 4
133 1 5 DC H5'' 1 5 DC H6 2.900 2.900 12.890 3.941 3.941 3.941 . 0 0 "[ ]" 4
134 1 5 DC H2' 1 5 DC H5' 2.900 2.900 12.890 4.645 4.645 4.645 . 0 0 "[ ]" 4
135 1 5 DC H2'' 1 5 DC H5' 2.900 2.900 12.890 5.190 5.190 5.190 . 0 0 "[ ]" 4
136 1 5 DC H2' 1 5 DC H5'' 2.900 2.900 12.890 4.367 4.367 4.367 . 0 0 "[ ]" 4
137 1 5 DC H2'' 1 5 DC H5'' 2.900 2.900 12.890 4.893 4.893 4.893 . 0 0 "[ ]" 4
138 1 5 DC H5 1 6 DG H8 3.400 . 5.000 5.016 5.016 5.016 0.016 1 0 "[ ]" 4
139 1 5 DC H6 1 6 DG H8 3.400 . 5.000 4.123 4.123 4.123 . 0 0 "[ ]" 4
140 1 5 DC H1' 1 6 DG H8 3.400 . 5.000 5.147 5.147 5.147 0.147 1 0 "[ ]" 4
141 1 5 DC H2' 1 6 DG H8 2.400 . 3.000 2.908 2.908 2.908 . 0 0 "[ ]" 4
142 1 5 DC H2'' 1 6 DG H8 3.400 . 5.000 3.765 3.765 3.765 . 0 0 "[ ]" 4
143 1 5 DC H3' 1 6 DG H8 3.400 . 5.000 4.674 4.674 4.674 . 0 0 "[ ]" 4
144 1 5 DC H6 1 6 DG H5' 2.900 2.900 12.890 6.651 6.651 6.651 . 0 0 "[ ]" 4
145 1 5 DC H6 1 6 DG H5'' 2.900 2.900 12.890 5.716 5.716 5.716 . 0 0 "[ ]" 4
146 1 5 DC H2' 1 6 DG H5' 2.900 2.900 12.890 4.543 4.543 4.543 . 0 0 "[ ]" 4
147 1 5 DC H2'' 1 6 DG H5' 2.900 2.900 12.890 3.680 3.680 3.680 . 0 0 "[ ]" 4
148 1 5 DC H2' 1 6 DG H5'' 2.900 2.900 12.890 3.761 3.761 3.761 . 0 0 "[ ]" 4
149 1 5 DC H2'' 1 6 DG H5'' 2.900 2.900 12.890 3.554 3.554 3.554 . 0 0 "[ ]" 4
150 1 5 DC H3' 1 6 DG P 3.020 2.800 3.250 2.833 2.833 2.833 . 0 0 "[ ]" 4
151 1 6 DG H1' 1 6 DG H8 3.400 . 5.000 3.811 3.811 3.811 . 0 0 "[ ]" 4
152 1 6 DG H2' 1 6 DG H8 2.150 . 3.500 2.634 2.634 2.634 . 0 0 "[ ]" 4
153 1 6 DG H2'' 1 6 DG H8 3.500 3.150 3.850 4.077 4.077 4.077 0.227 1 0 "[ ]" 4
154 1 6 DG H3' 1 6 DG H8 3.400 . 5.000 4.081 4.081 4.081 . 0 0 "[ ]" 4
155 1 6 DG H1' 1 6 DG H2' 2.150 . 2.500 2.922 2.922 2.922 0.422 1 0 "[ ]" 4
156 1 6 DG H1' 1 6 DG H2'' 2.150 . 2.500 2.250 2.250 2.250 . 0 0 "[ ]" 4
157 1 6 DG H1' 1 6 DG H3' 3.400 . 5.000 3.877 3.877 3.877 . 0 0 "[ ]" 4
158 1 6 DG H2' 1 6 DG H2'' 2.150 . 2.500 1.744 1.744 1.744 0.056 1 0 "[ ]" 4
159 1 6 DG H2' 1 6 DG H3' 2.150 . 2.500 2.307 2.307 2.307 . 0 0 "[ ]" 4
160 1 6 DG H2'' 1 6 DG H3' 2.150 . 2.500 2.702 2.702 2.702 0.202 1 0 "[ ]" 4
161 1 6 DG H5' 1 6 DG H8 2.900 2.900 12.890 4.475 4.475 4.475 . 0 0 "[ ]" 4
162 1 6 DG H5'' 1 6 DG H8 2.900 2.900 12.890 2.853 2.853 2.853 0.047 1 0 "[ ]" 4
163 1 6 DG H2' 1 6 DG H5' 2.900 2.900 12.890 4.212 4.212 4.212 . 0 0 "[ ]" 4
164 1 6 DG H2'' 1 6 DG H5' 2.900 2.900 12.890 4.902 4.902 4.902 . 0 0 "[ ]" 4
165 1 6 DG H2' 1 6 DG H5'' 2.900 2.900 12.890 2.965 2.965 2.965 . 0 0 "[ ]" 4
166 1 6 DG H2'' 1 6 DG H5'' 2.900 2.900 12.890 4.177 4.177 4.177 . 0 0 "[ ]" 4
167 1 6 DG H8 1 7 DC H5 3.400 . 5.000 4.384 4.384 4.384 . 0 0 "[ ]" 4
168 1 6 DG H8 1 7 DC H6 3.400 . 5.000 5.158 5.158 5.158 0.158 1 0 "[ ]" 4
169 1 6 DG H1' 1 7 DC H6 3.400 . 5.000 4.704 4.704 4.704 . 0 0 "[ ]" 4
170 1 6 DG H2' 1 7 DC H6 3.400 . 5.000 2.640 2.640 2.640 . 0 0 "[ ]" 4
171 1 6 DG H2'' 1 7 DC H6 3.400 . 5.000 2.481 2.481 2.481 . 0 0 "[ ]" 4
172 1 6 DG H3' 1 7 DC H6 2.400 . 3.000 3.148 3.148 3.148 0.148 1 0 "[ ]" 4
173 1 6 DG H8 1 7 DC H5' 2.900 2.900 12.890 8.563 8.563 8.563 . 0 0 "[ ]" 4
174 1 6 DG H8 1 7 DC H5'' 2.900 2.900 12.890 8.047 8.047 8.047 . 0 0 "[ ]" 4
175 1 6 DG H2' 1 7 DC H5' 2.900 2.900 12.890 6.065 6.065 6.065 . 0 0 "[ ]" 4
176 1 6 DG H2'' 1 7 DC H5' 2.900 2.900 12.890 4.905 4.905 4.905 . 0 0 "[ ]" 4
177 1 6 DG H2' 1 7 DC H5'' 2.900 2.900 12.890 5.441 5.441 5.441 . 0 0 "[ ]" 4
178 1 6 DG H2'' 1 7 DC H5'' 2.900 2.900 12.890 4.500 4.500 4.500 . 0 0 "[ ]" 4
179 1 6 DG H3' 1 7 DC P 3.020 2.800 3.250 2.667 2.667 2.667 0.133 1 0 "[ ]" 4
180 1 7 DC H5 1 7 DC H6 2.150 . 2.500 2.465 2.465 2.465 . 0 0 "[ ]" 4
181 1 7 DC H1' 1 7 DC H6 3.400 . 5.000 3.633 3.633 3.633 . 0 0 "[ ]" 4
182 1 7 DC Q2' 1 7 DC H6 . 3.150 3.500 2.711 2.711 2.711 0.439 1 0 "[ ]" 4
183 1 7 DC H3' 1 7 DC H6 3.400 . 5.000 4.317 4.317 4.317 . 0 0 "[ ]" 4
184 1 7 DC H1' 1 7 DC Q2' . . 2.500 2.282 2.282 2.282 . 0 0 "[ ]" 4
185 1 7 DC H2' 1 7 DC H2'' 2.150 . 2.500 1.768 1.768 1.768 0.032 1 0 "[ ]" 4
186 1 7 DC Q2' 1 7 DC H3' 2.150 . 2.500 2.200 2.200 2.200 . 0 0 "[ ]" 4
187 1 7 DC H5' 1 7 DC H6 2.900 2.900 12.890 4.520 4.520 4.520 . 0 0 "[ ]" 4
188 1 7 DC H5'' 1 7 DC H6 2.900 2.900 12.890 3.304 3.304 3.304 . 0 0 "[ ]" 4
189 1 7 DC Q2' 1 7 DC H5' 2.900 2.900 12.890 4.062 4.062 4.062 . 0 0 "[ ]" 4
190 1 7 DC Q2' 1 7 DC H5'' 2.900 2.900 12.890 2.822 2.822 2.822 0.078 1 0 "[ ]" 4
191 1 7 DC H6 1 8 DG H8 3.400 . 5.000 5.138 5.138 5.138 0.138 1 0 "[ ]" 4
192 1 7 DC H1' 1 8 DG H8 3.400 . 5.000 5.002 5.002 5.002 0.002 1 0 "[ ]" 4
193 1 7 DC Q2' 1 8 DG H8 3.400 . 5.000 2.393 2.393 2.393 . 0 0 "[ ]" 4
194 1 7 DC H3' 1 8 DG H8 2.150 . 3.500 2.377 2.377 2.377 . 0 0 "[ ]" 4
195 1 7 DC H6 1 8 DG H5' 2.900 2.900 12.890 8.222 8.222 8.222 . 0 0 "[ ]" 4
196 1 7 DC H6 1 8 DG H5'' 2.900 2.900 12.890 6.459 6.459 6.459 . 0 0 "[ ]" 4
197 1 7 DC Q2' 1 8 DG H5' 2.900 2.900 12.890 5.040 5.040 5.040 . 0 0 "[ ]" 4
198 1 7 DC Q2' 1 8 DG H5'' 2.900 2.900 12.890 3.583 3.583 3.583 . 0 0 "[ ]" 4
199 1 7 DC H3' 1 8 DG P 3.020 2.800 3.250 2.883 2.883 2.883 . 0 0 "[ ]" 4
200 1 8 DG H1' 1 8 DG H8 3.400 . 5.000 3.827 3.827 3.827 . 0 0 "[ ]" 4
201 1 8 DG H2' 1 8 DG H8 2.150 . 3.500 2.623 2.623 2.623 . 0 0 "[ ]" 4
202 1 8 DG H2'' 1 8 DG H8 3.500 3.150 4.850 4.101 4.101 4.101 . 0 0 "[ ]" 4
203 1 8 DG H3' 1 8 DG H8 2.400 . 3.000 3.272 3.272 3.272 0.272 1 0 "[ ]" 4
204 1 8 DG H4' 1 8 DG H8 2.150 . 4.500 4.634 4.634 4.634 0.134 1 0 "[ ]" 4
205 1 8 DG H1' 1 8 DG H2' 2.150 . 2.500 2.829 2.829 2.829 0.329 1 0 "[ ]" 4
206 1 8 DG H1' 1 8 DG H2'' 2.150 . 2.500 2.237 2.237 2.237 . 0 0 "[ ]" 4
207 1 8 DG H1' 1 8 DG H3' 3.400 . 5.000 3.902 3.902 3.902 . 0 0 "[ ]" 4
208 1 8 DG H1' 1 8 DG H4' 3.550 3.200 3.900 3.204 3.204 3.204 . 0 0 "[ ]" 4
209 1 8 DG H2' 1 8 DG H2'' 2.150 . 2.500 1.739 1.739 1.739 0.061 1 0 "[ ]" 4
210 1 8 DG H2' 1 8 DG H3' 2.150 . 2.500 2.220 2.220 2.220 . 0 0 "[ ]" 4
211 1 8 DG H2'' 1 8 DG H3' 2.150 . 2.500 2.823 2.823 2.823 0.323 1 0 "[ ]" 4
212 1 8 DG H5' 1 8 DG H8 2.900 2.900 12.890 4.340 4.340 4.340 . 0 0 "[ ]" 4
213 1 8 DG H5'' 1 8 DG H8 2.900 2.900 12.890 2.870 2.870 2.870 0.030 1 0 "[ ]" 4
214 1 8 DG H2' 1 8 DG H5' 2.900 2.900 12.890 4.355 4.355 4.355 . 0 0 "[ ]" 4
215 1 8 DG H2'' 1 8 DG H5' 2.900 2.900 12.890 4.699 4.699 4.699 . 0 0 "[ ]" 4
216 1 8 DG H2' 1 8 DG H5'' 2.900 2.900 12.890 3.837 3.837 3.837 . 0 0 "[ ]" 4
217 1 8 DG H2'' 1 8 DG H5'' 2.900 2.900 12.890 4.657 4.657 4.657 . 0 0 "[ ]" 4
218 1 8 DG H8 1 9 DC H5 3.400 . 5.000 3.521 3.521 3.521 . 0 0 "[ ]" 4
219 1 8 DG H8 1 9 DC H6 3.400 . 5.000 4.098 4.098 4.098 . 0 0 "[ ]" 4
220 1 8 DG H1' 1 9 DC H6 3.400 . 5.000 5.170 5.170 5.170 0.170 1 0 "[ ]" 4
221 1 8 DG H2' 1 9 DC H6 3.400 . 5.000 2.410 2.410 2.410 . 0 0 "[ ]" 4
222 1 8 DG H2'' 1 9 DC H5 3.400 . 5.000 5.061 5.061 5.061 0.061 1 0 "[ ]" 4
223 1 8 DG H2'' 1 9 DC H6 3.400 . 5.000 3.437 3.437 3.437 . 0 0 "[ ]" 4
224 1 8 DG H3' 1 9 DC H6 2.400 . 3.000 3.163 3.163 3.163 0.163 1 0 "[ ]" 4
225 1 8 DG H8 1 9 DC H5' 2.900 2.900 12.890 7.726 7.726 7.726 . 0 0 "[ ]" 4
226 1 8 DG H8 1 9 DC H5'' 2.900 2.900 12.890 7.158 7.158 7.158 . 0 0 "[ ]" 4
227 1 8 DG H2' 1 9 DC H5' 2.900 2.900 12.890 5.491 5.491 5.491 . 0 0 "[ ]" 4
228 1 8 DG H2'' 1 9 DC H5' 2.900 2.900 12.890 4.783 4.783 4.783 . 0 0 "[ ]" 4
229 1 8 DG H2' 1 9 DC H5'' 2.900 2.900 12.890 5.002 5.002 5.002 . 0 0 "[ ]" 4
230 1 8 DG H2'' 1 9 DC H5'' 2.900 2.900 12.890 4.782 4.782 4.782 . 0 0 "[ ]" 4
231 1 8 DG H3' 1 9 DC P 3.020 2.800 3.250 2.682 2.682 2.682 0.118 1 0 "[ ]" 4
232 1 9 DC H5 1 9 DC H6 2.150 . 2.500 2.449 2.449 2.449 . 0 0 "[ ]" 4
233 1 9 DC H1' 1 9 DC H6 3.400 . 5.000 3.610 3.610 3.610 . 0 0 "[ ]" 4
234 1 9 DC H2' 1 9 DC H6 2.150 . 3.500 2.897 2.897 2.897 . 0 0 "[ ]" 4
235 1 9 DC H2'' 1 9 DC H6 3.500 3.150 3.850 4.156 4.156 4.156 0.306 1 0 "[ ]" 4
236 1 9 DC H3' 1 9 DC H6 3.400 . 5.000 4.331 4.331 4.331 . 0 0 "[ ]" 4
237 1 9 DC H1' 1 9 DC H2' 3.400 . 5.000 3.030 3.030 3.030 . 0 0 "[ ]" 4
238 1 9 DC H1' 1 9 DC H2'' 2.400 . 3.000 2.355 2.355 2.355 . 0 0 "[ ]" 4
239 1 9 DC H2' 1 9 DC H2'' 2.150 . 2.500 1.764 1.764 1.764 0.036 1 0 "[ ]" 4
240 1 9 DC H2' 1 9 DC H3' 3.400 . 5.000 2.343 2.343 2.343 . 0 0 "[ ]" 4
241 1 9 DC H2'' 1 9 DC H3' 3.400 . 5.000 2.757 2.757 2.757 . 0 0 "[ ]" 4
242 1 9 DC H5' 1 9 DC H6 3.800 3.800 13.790 4.878 4.878 4.878 . 0 0 "[ ]" 4
243 1 9 DC H5'' 1 9 DC H6 3.800 3.800 13.790 3.673 3.673 3.673 0.127 1 0 "[ ]" 4
244 1 9 DC H2' 1 9 DC H5' 3.300 3.300 13.290 4.549 4.549 4.549 . 0 0 "[ ]" 4
245 1 9 DC H2'' 1 9 DC H5' 3.300 3.300 13.290 5.120 5.120 5.120 . 0 0 "[ ]" 4
246 1 9 DC H2' 1 9 DC H5'' 3.300 3.300 13.290 3.294 3.294 3.294 0.006 1 0 "[ ]" 4
247 1 9 DC H2'' 1 9 DC H5'' 3.300 3.300 13.290 4.379 4.379 4.379 . 0 0 "[ ]" 4
248 1 9 DC H5 1 10 DT M7 3.400 . 5.500 3.145 3.145 3.145 . 0 0 "[ ]" 4
249 1 9 DC H6 1 10 DT M7 2.150 . 3.000 2.479 2.479 2.479 . 0 0 "[ ]" 4
250 1 9 DC H1' 1 10 DT M7 3.400 . 5.500 4.120 4.120 4.120 . 0 0 "[ ]" 4
251 1 9 DC H1' 1 10 DT H6 3.400 . 5.000 4.127 4.127 4.127 . 0 0 "[ ]" 4
252 1 9 DC H2' 1 10 DT H6 2.150 . 2.500 2.557 2.557 2.557 0.057 1 0 "[ ]" 4
253 1 9 DC H2'' 1 10 DT M7 2.150 . 3.000 3.015 3.015 3.015 0.015 1 0 "[ ]" 4
254 1 9 DC H2'' 1 10 DT H6 2.150 . 2.500 2.201 2.201 2.201 . 0 0 "[ ]" 4
255 1 9 DC H3' 1 10 DT M7 2.400 . 3.500 3.552 3.552 3.552 0.052 1 0 "[ ]" 4
256 1 9 DC H3' 1 10 DT H6 3.400 . 5.000 4.299 4.299 4.299 . 0 0 "[ ]" 4
257 1 9 DC H6 1 10 DT H5' 3.800 3.800 13.790 7.906 7.906 7.906 . 0 0 "[ ]" 4
258 1 9 DC H6 1 10 DT H5'' 3.800 3.800 13.790 8.025 8.025 8.025 . 0 0 "[ ]" 4
259 1 9 DC H2' 1 10 DT H5' 3.300 3.300 13.290 5.556 5.556 5.556 . 0 0 "[ ]" 4
260 1 9 DC H2'' 1 10 DT H5' 3.300 3.300 13.290 3.851 3.851 3.851 . 0 0 "[ ]" 4
261 1 9 DC H2' 1 10 DT H5'' 3.300 3.300 13.290 5.316 5.316 5.316 . 0 0 "[ ]" 4
262 1 9 DC H2'' 1 10 DT H5'' 3.300 3.300 13.290 3.890 3.890 3.890 . 0 0 "[ ]" 4
263 1 9 DC H3' 1 10 DT P 3.020 2.800 3.250 2.836 2.836 2.836 . 0 0 "[ ]" 4
264 1 10 DT H6 1 10 DT M7 2.150 . 3.000 2.194 2.194 2.194 . 0 0 "[ ]" 4
265 1 10 DT H3' 1 10 DT M7 2.150 . 4.000 4.238 4.238 4.238 0.238 1 0 "[ ]" 4
266 1 10 DT H1' 1 10 DT H6 3.400 . 5.000 3.651 3.651 3.651 . 0 0 "[ ]" 4
267 1 10 DT H2' 1 10 DT H6 2.150 . 3.500 2.826 2.826 2.826 . 0 0 "[ ]" 4
268 1 10 DT H2'' 1 10 DT H6 3.500 3.150 3.850 4.094 4.094 4.094 0.244 1 0 "[ ]" 4
269 1 10 DT H3' 1 10 DT H6 3.400 . 5.000 2.844 2.844 2.844 . 0 0 "[ ]" 4
270 1 10 DT H2' 1 10 DT H2'' 2.150 . 2.500 1.764 1.764 1.764 0.036 1 0 "[ ]" 4
271 1 10 DT H2' 1 10 DT H3' 3.400 . 5.000 2.295 2.295 2.295 . 0 0 "[ ]" 4
272 1 10 DT H2'' 1 10 DT H3' 3.400 . 5.000 2.964 2.964 2.964 . 0 0 "[ ]" 4
273 1 10 DT H5' 1 10 DT H6 3.800 3.800 13.790 4.667 4.667 4.667 . 0 0 "[ ]" 4
274 1 10 DT H5'' 1 10 DT H6 3.800 3.800 13.790 4.146 4.146 4.146 . 0 0 "[ ]" 4
275 1 10 DT H2' 1 10 DT H5' 3.300 3.300 13.290 5.294 5.294 5.294 . 0 0 "[ ]" 4
276 1 10 DT H2'' 1 10 DT H5' 3.300 3.300 13.290 5.070 5.070 5.070 . 0 0 "[ ]" 4
277 1 10 DT H2' 1 10 DT H5'' 3.300 3.300 13.290 4.473 4.473 4.473 . 0 0 "[ ]" 4
278 1 10 DT H2'' 1 10 DT H5'' 3.300 3.300 13.290 4.582 4.582 4.582 . 0 0 "[ ]" 4
279 1 10 DT H6 1 11 DA H8 3.400 . 5.000 4.732 4.732 4.732 . 0 0 "[ ]" 4
280 1 10 DT H2' 1 11 DA H8 2.400 . 3.000 3.071 3.071 3.071 0.071 1 0 "[ ]" 4
281 1 10 DT H2'' 1 11 DA H8 3.400 . 5.000 3.833 3.833 3.833 . 0 0 "[ ]" 4
282 1 10 DT H3' 1 11 DA H8 2.150 . 2.500 2.633 2.633 2.633 0.133 1 0 "[ ]" 4
283 1 10 DT H6 1 11 DA H5' 3.800 3.800 13.790 8.054 8.054 8.054 . 0 0 "[ ]" 4
284 1 10 DT H6 1 11 DA H5'' 3.800 3.800 13.790 8.155 8.155 8.155 . 0 0 "[ ]" 4
285 1 10 DT H2' 1 11 DA H5' 3.300 3.300 13.290 6.297 6.297 6.297 . 0 0 "[ ]" 4
286 1 10 DT H2'' 1 11 DA H5' 3.300 3.300 13.290 5.571 5.571 5.571 . 0 0 "[ ]" 4
287 1 10 DT H2' 1 11 DA H5'' 3.300 3.300 13.290 6.289 6.289 6.289 . 0 0 "[ ]" 4
288 1 10 DT H2'' 1 11 DA H5'' 3.300 3.300 13.290 5.945 5.945 5.945 . 0 0 "[ ]" 4
289 1 10 DT H3' 1 11 DA P 3.020 2.800 3.250 2.799 2.799 2.799 0.001 1 0 "[ ]" 4
290 1 11 DA H1' 1 11 DA H8 3.400 . 5.000 3.787 3.787 3.787 . 0 0 "[ ]" 4
291 1 11 DA H2' 1 11 DA H8 2.150 . 3.500 2.755 2.755 2.755 . 0 0 "[ ]" 4
292 1 11 DA H2'' 1 11 DA H8 3.500 3.150 3.850 4.115 4.115 4.115 0.265 1 0 "[ ]" 4
293 1 11 DA H3' 1 11 DA H8 3.400 . 5.000 4.492 4.492 4.492 . 0 0 "[ ]" 4
294 1 11 DA H4' 1 11 DA H8 2.150 . 4.500 4.650 4.650 4.650 0.150 1 0 "[ ]" 4
295 1 11 DA H1' 1 11 DA H2' 2.150 . 2.500 2.960 2.960 2.960 0.460 1 0 "[ ]" 4
296 1 11 DA H1' 1 11 DA H2'' 2.150 . 2.500 2.315 2.315 2.315 . 0 0 "[ ]" 4
297 1 11 DA H1' 1 11 DA H3' 3.400 . 5.000 3.763 3.763 3.763 . 0 0 "[ ]" 4
298 1 11 DA H1' 1 11 DA H4' 3.550 3.200 3.900 3.174 3.174 3.174 0.026 1 0 "[ ]" 4
299 1 11 DA H2' 1 11 DA H2'' 2.150 . 2.500 1.749 1.749 1.749 0.051 1 0 "[ ]" 4
300 1 11 DA H2' 1 11 DA H3' 2.150 . 2.500 2.377 2.377 2.377 . 0 0 "[ ]" 4
301 1 11 DA H2'' 1 11 DA H3' 2.150 . 2.500 2.683 2.683 2.683 0.183 1 0 "[ ]" 4
302 1 11 DA H5' 1 11 DA H8 3.800 3.800 13.790 4.688 4.688 4.688 . 0 0 "[ ]" 4
303 1 11 DA H5'' 1 11 DA H8 3.800 3.800 13.790 3.980 3.980 3.980 . 0 0 "[ ]" 4
304 1 11 DA H2' 1 11 DA H5' 3.300 3.300 13.290 4.477 4.477 4.477 . 0 0 "[ ]" 4
305 1 11 DA H2'' 1 11 DA H5' 3.300 3.300 13.290 5.284 5.284 5.284 . 0 0 "[ ]" 4
306 1 11 DA H2' 1 11 DA H5'' 3.300 3.300 13.290 3.211 3.211 3.211 0.089 1 0 "[ ]" 4
307 1 11 DA H2'' 1 11 DA H5'' 3.300 3.300 13.290 4.296 4.296 4.296 . 0 0 "[ ]" 4
308 1 11 DA H8 1 12 DG H8 3.400 . 5.000 5.020 5.020 5.020 0.020 1 0 "[ ]" 4
309 1 11 DA H1' 1 12 DG H8 3.400 . 5.000 5.080 5.080 5.080 0.080 1 0 "[ ]" 4
310 1 11 DA H2' 1 12 DG H8 3.400 . 5.000 2.685 2.685 2.685 . 0 0 "[ ]" 4
311 1 11 DA H2'' 1 12 DG H8 2.400 . 3.000 2.893 2.893 2.893 . 0 0 "[ ]" 4
312 1 11 DA H3' 1 12 DG H8 3.400 . 5.000 3.701 3.701 3.701 . 0 0 "[ ]" 4
313 1 11 DA H8 1 12 DG H5' 3.800 3.800 13.790 8.085 8.085 8.085 . 0 0 "[ ]" 4
314 1 11 DA H8 1 12 DG H5'' 3.800 3.800 13.790 7.306 7.306 7.306 . 0 0 "[ ]" 4
315 1 11 DA H2' 1 12 DG H5' 3.300 3.300 13.290 5.390 5.390 5.390 . 0 0 "[ ]" 4
316 1 11 DA H2'' 1 12 DG H5' 3.300 3.300 13.290 4.287 4.287 4.287 . 0 0 "[ ]" 4
317 1 11 DA H2' 1 12 DG H5'' 3.300 3.300 13.290 4.625 4.625 4.625 . 0 0 "[ ]" 4
318 1 11 DA H2'' 1 12 DG H5'' 3.300 3.300 13.290 4.088 4.088 4.088 . 0 0 "[ ]" 4
319 1 11 DA H3' 1 12 DG P 3.020 2.800 3.250 3.039 3.039 3.039 . 0 0 "[ ]" 4
320 1 12 DG H1' 1 12 DG H8 3.400 . 5.000 3.829 3.829 3.829 . 0 0 "[ ]" 4
321 1 12 DG H2' 1 12 DG H8 2.150 . 3.500 2.637 2.637 2.637 . 0 0 "[ ]" 4
322 1 12 DG H2'' 1 12 DG H8 3.500 3.150 3.850 4.010 4.010 4.010 0.160 1 0 "[ ]" 4
323 1 12 DG H3' 1 12 DG H8 2.150 . 2.500 2.196 2.196 2.196 . 0 0 "[ ]" 4
324 1 12 DG H4' 1 12 DG H8 2.150 . 4.500 4.524 4.524 4.524 0.024 1 0 "[ ]" 4
325 1 12 DG H1' 1 12 DG H2' 2.150 . 2.500 2.737 2.737 2.737 0.237 1 0 "[ ]" 4
326 1 12 DG H1' 1 12 DG H2'' 2.400 . 3.000 2.264 2.264 2.264 . 0 0 "[ ]" 4
327 1 12 DG H1' 1 12 DG H3' 2.150 . 3.500 3.806 3.806 3.806 0.306 1 0 "[ ]" 4
328 1 12 DG H1' 1 12 DG H4' 3.550 3.200 3.900 3.385 3.385 3.385 . 0 0 "[ ]" 4
329 1 12 DG H2' 1 12 DG H2'' 2.150 . 2.500 1.764 1.764 1.764 0.036 1 0 "[ ]" 4
330 1 12 DG H2' 1 12 DG H3' 2.150 . 2.500 2.298 2.298 2.298 . 0 0 "[ ]" 4
331 1 12 DG H2'' 1 12 DG H3' 3.400 . 5.000 2.978 2.978 2.978 . 0 0 "[ ]" 4
332 2 1 DC H5 2 1 DC H6 3.400 . 5.000 2.453 2.453 2.453 . 0 0 "[ ]" 4
333 2 1 DC H1' 2 1 DC H6 3.400 . 5.000 3.699 3.699 3.699 . 0 0 "[ ]" 4
334 2 1 DC H2'' 2 1 DC H6 3.400 . 5.000 3.760 3.760 3.760 . 0 0 "[ ]" 4
335 2 1 DC H2' 2 1 DC H6 2.150 . 2.500 2.261 2.261 2.261 . 0 0 "[ ]" 4
336 2 1 DC H3' 2 1 DC H6 2.150 . 2.500 2.531 2.531 2.531 0.031 1 0 "[ ]" 4
337 2 1 DC H4' 2 1 DC H6 3.400 . 5.000 4.501 4.501 4.501 . 0 0 "[ ]" 4
338 2 1 DC H5' 2 1 DC H6 3.400 . 5.000 3.110 3.110 3.110 . 0 0 "[ ]" 4
339 2 1 DC H5'' 2 1 DC H6 3.400 . 5.000 4.647 4.647 4.647 . 0 0 "[ ]" 4
340 2 1 DC H1' 2 1 DC H2' 3.400 . 5.000 2.864 2.864 2.864 . 0 0 "[ ]" 4
341 2 1 DC H1' 2 1 DC H2'' 2.150 . 2.500 2.264 2.264 2.264 . 0 0 "[ ]" 4
342 2 1 DC H1' 2 1 DC H3' 2.150 . 3.500 3.880 3.880 3.880 0.380 1 0 "[ ]" 4
343 2 1 DC H1' 2 1 DC H4' 3.550 3.200 3.900 3.155 3.155 3.155 0.045 1 0 "[ ]" 4
344 2 1 DC H2' 2 1 DC H2'' 2.150 . 2.500 1.771 1.771 1.771 0.029 1 0 "[ ]" 4
345 2 1 DC H2' 2 1 DC H3' 3.400 . 5.000 2.268 2.268 2.268 . 0 0 "[ ]" 4
346 2 1 DC H2'' 2 1 DC H3' 3.400 . 5.000 2.937 2.937 2.937 . 0 0 "[ ]" 4
347 2 1 DC H5 2 2 DT M7 3.400 . 5.500 2.660 2.660 2.660 . 0 0 "[ ]" 4
348 2 1 DC H6 2 2 DT M7 2.400 . 3.500 2.137 2.137 2.137 . 0 0 "[ ]" 4
349 2 1 DC H1' 2 2 DT M7 3.400 . 5.500 4.389 4.389 4.389 . 0 0 "[ ]" 4
350 2 1 DC H1' 2 2 DT H6 3.400 . 5.000 4.881 4.881 4.881 . 0 0 "[ ]" 4
351 2 1 DC H2' 2 2 DT H6 3.400 . 5.000 2.700 2.700 2.700 . 0 0 "[ ]" 4
352 2 1 DC H2'' 2 2 DT M7 3.400 . 5.500 3.355 3.355 3.355 . 0 0 "[ ]" 4
353 2 1 DC H2'' 2 2 DT H6 2.400 . 3.000 3.037 3.037 3.037 0.037 1 0 "[ ]" 4
354 2 1 DC H3' 2 2 DT M7 2.400 . 3.500 2.837 2.837 2.837 . 0 0 "[ ]" 4
355 2 1 DC H3' 2 2 DT H6 3.400 . 5.000 4.322 4.322 4.322 . 0 0 "[ ]" 4
356 2 1 DC H6 2 2 DT H5' 3.800 3.800 13.790 7.000 7.000 7.000 . 0 0 "[ ]" 4
357 2 1 DC H6 2 2 DT H5'' 3.800 3.800 13.790 7.218 7.218 7.218 . 0 0 "[ ]" 4
358 2 1 DC H2' 2 2 DT H5' 3.300 3.300 13.290 4.895 4.895 4.895 . 0 0 "[ ]" 4
359 2 1 DC H2'' 2 2 DT H5' 3.300 3.300 13.290 3.271 3.271 3.271 0.029 1 0 "[ ]" 4
360 2 1 DC H2' 2 2 DT H5'' 3.300 3.300 13.290 5.079 5.079 5.079 . 0 0 "[ ]" 4
361 2 1 DC H2'' 2 2 DT H5'' 3.300 3.300 13.290 3.853 3.853 3.853 . 0 0 "[ ]" 4
362 2 1 DC H3' 2 2 DT P 3.020 2.800 3.250 3.007 3.007 3.007 . 0 0 "[ ]" 4
363 2 2 DT H6 2 2 DT M7 2.150 . 3.000 2.242 2.242 2.242 . 0 0 "[ ]" 4
364 2 2 DT H3' 2 2 DT M7 2.150 . 4.000 4.051 4.051 4.051 0.051 1 0 "[ ]" 4
365 2 2 DT H1' 2 2 DT H6 2.150 . 3.500 3.654 3.654 3.654 0.154 1 0 "[ ]" 4
366 2 2 DT H2' 2 2 DT H6 2.150 . 3.500 2.222 2.222 2.222 . 0 0 "[ ]" 4
367 2 2 DT H2'' 2 2 DT H6 3.150 2.650 3.650 3.685 3.685 3.685 0.035 1 0 "[ ]" 4
368 2 2 DT H3' 2 2 DT H6 2.150 . 2.500 2.460 2.460 2.460 . 0 0 "[ ]" 4
369 2 2 DT H1' 2 2 DT H2' 2.150 . 2.500 2.822 2.822 2.822 0.322 1 0 "[ ]" 4
370 2 2 DT H1' 2 2 DT H2'' 2.150 . 2.500 2.260 2.260 2.260 . 0 0 "[ ]" 4
371 2 2 DT H1' 2 2 DT H3' 3.400 . 5.000 3.913 3.913 3.913 . 0 0 "[ ]" 4
372 2 2 DT H2' 2 2 DT H2'' 2.150 . 2.500 1.750 1.750 1.750 0.050 1 0 "[ ]" 4
373 2 2 DT H2' 2 2 DT H3' 2.150 . 2.500 2.268 2.268 2.268 . 0 0 "[ ]" 4
374 2 2 DT H2'' 2 2 DT H3' 2.150 . 2.500 2.895 2.895 2.895 0.395 1 0 "[ ]" 4
375 2 2 DT H5' 2 2 DT H6 3.800 3.800 13.790 4.491 4.491 4.491 . 0 0 "[ ]" 4
376 2 2 DT H5'' 2 2 DT H6 3.800 3.800 13.790 4.056 4.056 4.056 . 0 0 "[ ]" 4
377 2 2 DT H2' 2 2 DT H5' 3.300 3.300 13.290 5.189 5.189 5.189 . 0 0 "[ ]" 4
378 2 2 DT H2'' 2 2 DT H5' 3.300 3.300 13.290 5.178 5.178 5.178 . 0 0 "[ ]" 4
379 2 2 DT H2' 2 2 DT H5'' 3.300 3.300 13.290 4.530 4.530 4.530 . 0 0 "[ ]" 4
380 2 2 DT H2'' 2 2 DT H5'' 3.300 3.300 13.290 4.694 4.694 4.694 . 0 0 "[ ]" 4
381 2 2 DT H6 2 3 DA H8 3.400 . 5.000 4.761 4.761 4.761 . 0 0 "[ ]" 4
382 2 2 DT H1' 2 3 DA H8 3.400 . 5.000 4.435 4.435 4.435 . 0 0 "[ ]" 4
383 2 2 DT H2' 2 3 DA H8 3.400 . 5.000 2.621 2.621 2.621 . 0 0 "[ ]" 4
384 2 2 DT H2'' 2 3 DA H8 3.400 . 5.000 2.397 2.397 2.397 . 0 0 "[ ]" 4
385 2 2 DT H3' 2 3 DA H8 3.400 . 5.000 3.992 3.992 3.992 . 0 0 "[ ]" 4
386 2 2 DT H6 2 3 DA H5' 3.800 3.800 13.790 6.600 6.600 6.600 . 0 0 "[ ]" 4
387 2 2 DT H6 2 3 DA H5'' 3.800 3.800 13.790 7.504 7.504 7.504 . 0 0 "[ ]" 4
388 2 2 DT H2' 2 3 DA H5' 3.300 3.300 13.290 4.811 4.811 4.811 . 0 0 "[ ]" 4
389 2 2 DT H2'' 2 3 DA H5' 3.300 3.300 13.290 3.292 3.292 3.292 0.008 1 0 "[ ]" 4
390 2 2 DT H2' 2 3 DA H5'' 3.300 3.300 13.290 5.511 5.511 5.511 . 0 0 "[ ]" 4
391 2 2 DT H2'' 2 3 DA H5'' 3.300 3.300 13.290 4.216 4.216 4.216 . 0 0 "[ ]" 4
392 2 2 DT H3' 2 3 DA P 3.020 2.800 3.250 2.853 2.853 2.853 . 0 0 "[ ]" 4
393 2 3 DA H1' 2 3 DA H8 2.400 . 4.000 3.840 3.840 3.840 . 0 0 "[ ]" 4
394 2 3 DA H2' 2 3 DA H8 2.400 . 4.000 2.743 2.743 2.743 . 0 0 "[ ]" 4
395 2 3 DA H2'' 2 3 DA H8 3.400 2.800 4.000 4.173 4.173 4.173 0.173 1 0 "[ ]" 4
396 2 3 DA H3' 2 3 DA H8 3.400 . 5.000 3.897 3.897 3.897 . 0 0 "[ ]" 4
397 2 3 DA H4' 2 3 DA H8 2.150 . 4.500 4.520 4.520 4.520 0.020 1 0 "[ ]" 4
398 2 3 DA H1' 2 3 DA H2' 2.150 . 2.500 2.905 2.905 2.905 0.405 1 0 "[ ]" 4
399 2 3 DA H1' 2 3 DA H2'' 2.150 . 2.500 2.246 2.246 2.246 . 0 0 "[ ]" 4
400 2 3 DA H1' 2 3 DA H3' 3.400 . 5.000 3.943 3.943 3.943 . 0 0 "[ ]" 4
401 2 3 DA H1' 2 3 DA H4' 3.550 3.200 3.900 3.472 3.472 3.472 . 0 0 "[ ]" 4
402 2 3 DA H2' 2 3 DA H2'' 2.150 . 2.500 1.740 1.740 1.740 0.060 1 0 "[ ]" 4
403 2 3 DA H2' 2 3 DA H3' 2.150 . 2.500 2.312 2.312 2.312 . 0 0 "[ ]" 4
404 2 3 DA H2'' 2 3 DA H3' 2.150 . 2.500 2.743 2.743 2.743 0.243 1 0 "[ ]" 4
405 2 3 DA H5' 2 3 DA H8 3.800 3.800 13.790 3.930 3.930 3.930 . 0 0 "[ ]" 4
406 2 3 DA H5'' 2 3 DA H8 3.800 3.800 13.790 3.773 3.773 3.773 0.027 1 0 "[ ]" 4
407 2 3 DA H2' 2 3 DA H5' 3.300 3.300 13.290 4.660 4.660 4.660 . 0 0 "[ ]" 4
408 2 3 DA H2'' 2 3 DA H5' 3.300 3.300 13.290 5.309 5.309 5.309 . 0 0 "[ ]" 4
409 2 3 DA H2' 2 3 DA H5'' 3.300 3.300 13.290 3.766 3.766 3.766 . 0 0 "[ ]" 4
410 2 3 DA H2'' 2 3 DA H5'' 3.300 3.300 13.290 4.578 4.578 4.578 . 0 0 "[ ]" 4
411 2 3 DA H8 2 4 DG H8 3.400 . 5.000 4.987 4.987 4.987 . 0 0 "[ ]" 4
412 2 3 DA H1' 2 4 DG H8 3.400 . 5.000 3.710 3.710 3.710 . 0 0 "[ ]" 4
413 2 3 DA H2' 2 4 DG H8 2.150 . 2.500 2.636 2.636 2.636 0.136 1 0 "[ ]" 4
414 2 3 DA H2'' 2 4 DG H8 2.150 . 2.500 2.136 2.136 2.136 . 0 0 "[ ]" 4
415 2 3 DA H3' 2 4 DG H8 3.400 . 5.000 4.356 4.356 4.356 . 0 0 "[ ]" 4
416 2 3 DA H8 2 4 DG H5' 2.900 2.900 12.890 6.282 6.282 6.282 . 0 0 "[ ]" 4
417 2 3 DA H8 2 4 DG H5'' 2.900 2.900 12.890 7.459 7.459 7.459 . 0 0 "[ ]" 4
418 2 3 DA H2' 2 4 DG H5' 2.900 2.900 12.890 4.474 4.474 4.474 . 0 0 "[ ]" 4
419 2 3 DA H2'' 2 4 DG H5' 2.900 2.900 12.890 2.860 2.860 2.860 0.040 1 0 "[ ]" 4
420 2 3 DA H2' 2 4 DG H5'' 2.900 2.900 12.890 5.298 5.298 5.298 . 0 0 "[ ]" 4
421 2 3 DA H2'' 2 4 DG H5'' 2.900 2.900 12.890 3.582 3.582 3.582 . 0 0 "[ ]" 4
422 2 3 DA H3' 2 4 DG P 3.020 2.800 3.250 3.004 3.004 3.004 . 0 0 "[ ]" 4
423 2 4 DG H1' 2 4 DG H8 3.400 . 5.000 3.841 3.841 3.841 . 0 0 "[ ]" 4
424 2 4 DG H2' 2 4 DG H8 2.150 . 3.500 2.305 2.305 2.305 . 0 0 "[ ]" 4
425 2 4 DG H2'' 2 4 DG H8 3.500 3.150 3.850 3.878 3.878 3.878 0.028 1 0 "[ ]" 4
426 2 4 DG H3' 2 4 DG H8 2.400 . 3.000 3.072 3.072 3.072 0.072 1 0 "[ ]" 4
427 2 4 DG H1' 2 4 DG H2' 2.150 . 2.500 2.838 2.838 2.838 0.338 1 0 "[ ]" 4
428 2 4 DG H1' 2 4 DG H2'' 2.150 . 2.500 2.250 2.250 2.250 . 0 0 "[ ]" 4
429 2 4 DG H1' 2 4 DG H3' 3.400 . 5.000 3.967 3.967 3.967 . 0 0 "[ ]" 4
430 2 4 DG H2' 2 4 DG H2'' 2.150 . 2.500 1.746 1.746 1.746 0.054 1 0 "[ ]" 4
431 2 4 DG H2' 2 4 DG H3' 2.150 . 2.500 2.255 2.255 2.255 . 0 0 "[ ]" 4
432 2 4 DG H2'' 2 4 DG H3' 2.150 . 2.500 2.840 2.840 2.840 0.340 1 0 "[ ]" 4
433 2 4 DG H5' 2 4 DG H8 2.900 2.900 12.890 3.945 3.945 3.945 . 0 0 "[ ]" 4
434 2 4 DG H5'' 2 4 DG H8 2.900 2.900 12.890 4.647 4.647 4.647 . 0 0 "[ ]" 4
435 2 4 DG H2' 2 4 DG H5' 2.900 2.900 12.890 4.627 4.627 4.627 . 0 0 "[ ]" 4
436 2 4 DG H2'' 2 4 DG H5' 2.900 2.900 12.890 5.065 5.065 5.065 . 0 0 "[ ]" 4
437 2 4 DG H2' 2 4 DG H5'' 2.900 2.900 12.890 4.776 4.776 4.776 . 0 0 "[ ]" 4
438 2 4 DG H2'' 2 4 DG H5'' 2.900 2.900 12.890 5.038 5.038 5.038 . 0 0 "[ ]" 4
439 2 4 DG H8 2 5 DC H5 3.400 . 5.000 3.797 3.797 3.797 . 0 0 "[ ]" 4
440 2 4 DG H8 2 5 DC H6 3.400 . 5.400 5.487 5.487 5.487 0.087 1 0 "[ ]" 4
441 2 4 DG H2' 2 5 DC H6 3.400 . 5.000 3.236 3.236 3.236 . 0 0 "[ ]" 4
442 2 4 DG H2'' 2 5 DC H5 3.400 . 5.000 2.813 2.813 2.813 . 0 0 "[ ]" 4
443 2 4 DG H2'' 2 5 DC H6 3.400 . 5.000 2.311 2.311 2.311 . 0 0 "[ ]" 4
444 2 4 DG H3' 2 5 DC H6 3.400 . 5.000 4.550 4.550 4.550 . 0 0 "[ ]" 4
445 2 4 DG H8 2 5 DC H5' 2.900 2.900 12.890 6.457 6.457 6.457 . 0 0 "[ ]" 4
446 2 4 DG H8 2 5 DC H5'' 2.900 2.900 12.890 7.510 7.510 7.510 . 0 0 "[ ]" 4
447 2 4 DG H2' 2 5 DC H5' 2.900 2.900 12.890 4.558 4.558 4.558 . 0 0 "[ ]" 4
448 2 4 DG H2'' 2 5 DC H5' 2.900 2.900 12.890 2.869 2.869 2.869 0.031 1 0 "[ ]" 4
449 2 4 DG H2' 2 5 DC H5'' 2.900 2.900 12.890 5.435 5.435 5.435 . 0 0 "[ ]" 4
450 2 4 DG H2'' 2 5 DC H5'' 2.900 2.900 12.890 3.840 3.840 3.840 . 0 0 "[ ]" 4
451 2 4 DG H3' 2 5 DC P 3.020 2.800 3.250 2.967 2.967 2.967 . 0 0 "[ ]" 4
452 2 5 DC H5 2 5 DC H6 2.150 . 2.500 2.450 2.450 2.450 . 0 0 "[ ]" 4
453 2 5 DC H1' 2 5 DC H6 3.400 . 5.000 3.734 3.734 3.734 . 0 0 "[ ]" 4
454 2 5 DC H2' 2 5 DC H6 2.150 . 3.500 2.175 2.175 2.175 . 0 0 "[ ]" 4
455 2 5 DC H2'' 2 5 DC H6 3.500 3.150 3.850 3.727 3.727 3.727 . 0 0 "[ ]" 4
456 2 5 DC H3' 2 5 DC H6 2.400 . 3.000 3.031 3.031 3.031 0.031 1 0 "[ ]" 4
457 2 5 DC H1' 2 5 DC H2' 2.400 . 3.000 2.886 2.886 2.886 . 0 0 "[ ]" 4
458 2 5 DC H1' 2 5 DC H2'' 3.400 . 5.000 2.266 2.266 2.266 . 0 0 "[ ]" 4
459 2 5 DC H1' 2 5 DC H3' 3.400 . 5.000 4.007 4.007 4.007 . 0 0 "[ ]" 4
460 2 5 DC H2' 2 5 DC H2'' 2.150 . 2.500 1.754 1.754 1.754 0.046 1 0 "[ ]" 4
461 2 5 DC H2' 2 5 DC H3' 2.150 . 2.500 2.264 2.264 2.264 . 0 0 "[ ]" 4
462 2 5 DC H2'' 2 5 DC H3' 2.150 . 2.500 2.800 2.800 2.800 0.300 1 0 "[ ]" 4
463 2 5 DC H5' 2 5 DC H6 2.900 2.900 12.890 3.724 3.724 3.724 . 0 0 "[ ]" 4
464 2 5 DC H5'' 2 5 DC H6 2.900 2.900 12.890 3.942 3.942 3.942 . 0 0 "[ ]" 4
465 2 5 DC H2' 2 5 DC H5' 2.900 2.900 12.890 4.643 4.643 4.643 . 0 0 "[ ]" 4
466 2 5 DC H2'' 2 5 DC H5' 2.900 2.900 12.890 5.190 5.190 5.190 . 0 0 "[ ]" 4
467 2 5 DC H2' 2 5 DC H5'' 2.900 2.900 12.890 4.366 4.366 4.366 . 0 0 "[ ]" 4
468 2 5 DC H2'' 2 5 DC H5'' 2.900 2.900 12.890 4.892 4.892 4.892 . 0 0 "[ ]" 4
469 2 5 DC H5 2 6 DG H8 3.400 . 5.000 5.018 5.018 5.018 0.018 1 0 "[ ]" 4
470 2 5 DC H6 2 6 DG H8 3.400 . 5.000 4.127 4.127 4.127 . 0 0 "[ ]" 4
471 2 5 DC H1' 2 6 DG H8 3.400 . 5.000 5.150 5.150 5.150 0.150 1 0 "[ ]" 4
472 2 5 DC H2' 2 6 DG H8 2.400 . 3.000 2.911 2.911 2.911 . 0 0 "[ ]" 4
473 2 5 DC H2'' 2 6 DG H8 3.400 . 5.000 3.765 3.765 3.765 . 0 0 "[ ]" 4
474 2 5 DC H3' 2 6 DG H8 3.400 . 5.000 4.677 4.677 4.677 . 0 0 "[ ]" 4
475 2 5 DC H6 2 6 DG H5' 2.900 2.900 12.890 6.650 6.650 6.650 . 0 0 "[ ]" 4
476 2 5 DC H6 2 6 DG H5'' 2.900 2.900 12.890 5.714 5.714 5.714 . 0 0 "[ ]" 4
477 2 5 DC H2' 2 6 DG H5' 2.900 2.900 12.890 4.544 4.544 4.544 . 0 0 "[ ]" 4
478 2 5 DC H2'' 2 6 DG H5' 2.900 2.900 12.890 3.678 3.678 3.678 . 0 0 "[ ]" 4
479 2 5 DC H2' 2 6 DG H5'' 2.900 2.900 12.890 3.760 3.760 3.760 . 0 0 "[ ]" 4
480 2 5 DC H2'' 2 6 DG H5'' 2.900 2.900 12.890 3.550 3.550 3.550 . 0 0 "[ ]" 4
481 2 5 DC H3' 2 6 DG P 3.020 2.800 3.250 2.833 2.833 2.833 . 0 0 "[ ]" 4
482 2 6 DG H1' 2 6 DG H8 3.400 . 5.000 3.812 3.812 3.812 . 0 0 "[ ]" 4
483 2 6 DG H2' 2 6 DG H8 2.150 . 3.500 2.633 2.633 2.633 . 0 0 "[ ]" 4
484 2 6 DG H2'' 2 6 DG H8 3.500 3.150 3.850 4.076 4.076 4.076 0.226 1 0 "[ ]" 4
485 2 6 DG H3' 2 6 DG H8 3.400 . 5.000 4.082 4.082 4.082 . 0 0 "[ ]" 4
486 2 6 DG H1' 2 6 DG H2' 2.150 . 2.500 2.923 2.923 2.923 0.423 1 0 "[ ]" 4
487 2 6 DG H1' 2 6 DG H2'' 2.150 . 2.500 2.251 2.251 2.251 . 0 0 "[ ]" 4
488 2 6 DG H1' 2 6 DG H3' 3.400 . 5.000 3.878 3.878 3.878 . 0 0 "[ ]" 4
489 2 6 DG H2' 2 6 DG H2'' 2.150 . 2.500 1.744 1.744 1.744 0.056 1 0 "[ ]" 4
490 2 6 DG H2' 2 6 DG H3' 2.150 . 2.500 2.307 2.307 2.307 . 0 0 "[ ]" 4
491 2 6 DG H2'' 2 6 DG H3' 2.150 . 2.500 2.702 2.702 2.702 0.202 1 0 "[ ]" 4
492 2 6 DG H5' 2 6 DG H8 2.900 2.900 12.890 4.475 4.475 4.475 . 0 0 "[ ]" 4
493 2 6 DG H5'' 2 6 DG H8 2.900 2.900 12.890 2.852 2.852 2.852 0.048 1 0 "[ ]" 4
494 2 6 DG H2' 2 6 DG H5' 2.900 2.900 12.890 4.210 4.210 4.210 . 0 0 "[ ]" 4
495 2 6 DG H2'' 2 6 DG H5' 2.900 2.900 12.890 4.900 4.900 4.900 . 0 0 "[ ]" 4
496 2 6 DG H2' 2 6 DG H5'' 2.900 2.900 12.890 2.964 2.964 2.964 . 0 0 "[ ]" 4
497 2 6 DG H2'' 2 6 DG H5'' 2.900 2.900 12.890 4.177 4.177 4.177 . 0 0 "[ ]" 4
498 2 6 DG H8 2 7 DC H5 3.400 . 5.000 4.386 4.386 4.386 . 0 0 "[ ]" 4
499 2 6 DG H8 2 7 DC H6 3.400 . 5.000 5.158 5.158 5.158 0.158 1 0 "[ ]" 4
500 2 6 DG H1' 2 7 DC H6 3.400 . 5.000 4.705 4.705 4.705 . 0 0 "[ ]" 4
501 2 6 DG H2' 2 7 DC H6 3.400 . 5.000 2.643 2.643 2.643 . 0 0 "[ ]" 4
502 2 6 DG H2'' 2 7 DC H6 3.400 . 5.000 2.481 2.481 2.481 . 0 0 "[ ]" 4
503 2 6 DG H3' 2 7 DC H6 2.400 . 3.000 3.150 3.150 3.150 0.150 1 0 "[ ]" 4
504 2 6 DG H8 2 7 DC H5' 2.900 2.900 12.890 8.564 8.564 8.564 . 0 0 "[ ]" 4
505 2 6 DG H8 2 7 DC H5'' 2.900 2.900 12.890 8.046 8.046 8.046 . 0 0 "[ ]" 4
506 2 6 DG H2' 2 7 DC H5' 2.900 2.900 12.890 6.067 6.067 6.067 . 0 0 "[ ]" 4
507 2 6 DG H2'' 2 7 DC H5' 2.900 2.900 12.890 4.907 4.907 4.907 . 0 0 "[ ]" 4
508 2 6 DG H2' 2 7 DC H5'' 2.900 2.900 12.890 5.441 5.441 5.441 . 0 0 "[ ]" 4
509 2 6 DG H2'' 2 7 DC H5'' 2.900 2.900 12.890 4.499 4.499 4.499 . 0 0 "[ ]" 4
510 2 6 DG H3' 2 7 DC P 3.020 2.800 3.250 2.667 2.667 2.667 0.133 1 0 "[ ]" 4
511 2 7 DC H5 2 7 DC H6 2.150 . 2.500 2.465 2.465 2.465 . 0 0 "[ ]" 4
512 2 7 DC H1' 2 7 DC H6 3.400 . 5.000 3.632 3.632 3.632 . 0 0 "[ ]" 4
513 2 7 DC Q2' 2 7 DC H6 . 3.150 3.500 2.709 2.709 2.709 0.441 1 0 "[ ]" 4
514 2 7 DC H3' 2 7 DC H6 3.400 . 5.000 4.316 4.316 4.316 . 0 0 "[ ]" 4
515 2 7 DC H1' 2 7 DC Q2' . . 2.500 2.282 2.282 2.282 . 0 0 "[ ]" 4
516 2 7 DC H2' 2 7 DC H2'' 2.150 . 2.500 1.767 1.767 1.767 0.033 1 0 "[ ]" 4
517 2 7 DC Q2' 2 7 DC H3' 2.150 . 2.500 2.200 2.200 2.200 . 0 0 "[ ]" 4
518 2 7 DC H5' 2 7 DC H6 2.900 2.900 12.890 4.522 4.522 4.522 . 0 0 "[ ]" 4
519 2 7 DC H5'' 2 7 DC H6 2.900 2.900 12.890 3.303 3.303 3.303 . 0 0 "[ ]" 4
520 2 7 DC Q2' 2 7 DC H5' 2.900 2.900 12.890 4.063 4.063 4.063 . 0 0 "[ ]" 4
521 2 7 DC Q2' 2 7 DC H5'' 2.900 2.900 12.890 2.822 2.822 2.822 0.078 1 0 "[ ]" 4
522 2 7 DC H6 2 8 DG H8 3.400 . 5.000 5.138 5.138 5.138 0.138 1 0 "[ ]" 4
523 2 7 DC H1' 2 8 DG H8 3.400 . 5.000 5.002 5.002 5.002 0.002 1 0 "[ ]" 4
524 2 7 DC Q2' 2 8 DG H8 3.400 . 5.000 2.393 2.393 2.393 . 0 0 "[ ]" 4
525 2 7 DC H3' 2 8 DG H8 2.150 . 3.500 2.379 2.379 2.379 . 0 0 "[ ]" 4
526 2 7 DC H6 2 8 DG H5' 2.900 2.900 12.890 8.223 8.223 8.223 . 0 0 "[ ]" 4
527 2 7 DC H6 2 8 DG H5'' 2.900 2.900 12.890 6.460 6.460 6.460 . 0 0 "[ ]" 4
528 2 7 DC Q2' 2 8 DG H5' 2.900 2.900 12.890 5.040 5.040 5.040 . 0 0 "[ ]" 4
529 2 7 DC Q2' 2 8 DG H5'' 2.900 2.900 12.890 3.583 3.583 3.583 . 0 0 "[ ]" 4
530 2 7 DC H3' 2 8 DG P 3.020 2.800 3.250 2.883 2.883 2.883 . 0 0 "[ ]" 4
531 2 8 DG H1' 2 8 DG H8 3.400 . 5.000 3.828 3.828 3.828 . 0 0 "[ ]" 4
532 2 8 DG H2' 2 8 DG H8 2.150 . 3.500 2.621 2.621 2.621 . 0 0 "[ ]" 4
533 2 8 DG H2'' 2 8 DG H8 3.500 3.150 4.850 4.100 4.100 4.100 . 0 0 "[ ]" 4
534 2 8 DG H3' 2 8 DG H8 2.400 . 3.000 3.277 3.277 3.277 0.277 1 0 "[ ]" 4
535 2 8 DG H4' 2 8 DG H8 2.150 . 4.500 4.633 4.633 4.633 0.133 1 0 "[ ]" 4
536 2 8 DG H1' 2 8 DG H2' 2.150 . 2.500 2.830 2.830 2.830 0.330 1 0 "[ ]" 4
537 2 8 DG H1' 2 8 DG H2'' 2.150 . 2.500 2.236 2.236 2.236 . 0 0 "[ ]" 4
538 2 8 DG H1' 2 8 DG H3' 3.400 . 5.000 3.901 3.901 3.901 . 0 0 "[ ]" 4
539 2 8 DG H1' 2 8 DG H4' 3.550 3.200 3.900 3.203 3.203 3.203 . 0 0 "[ ]" 4
540 2 8 DG H2' 2 8 DG H2'' 2.150 . 2.500 1.739 1.739 1.739 0.061 1 0 "[ ]" 4
541 2 8 DG H2' 2 8 DG H3' 2.150 . 2.500 2.220 2.220 2.220 . 0 0 "[ ]" 4
542 2 8 DG H2'' 2 8 DG H3' 2.150 . 2.500 2.822 2.822 2.822 0.322 1 0 "[ ]" 4
543 2 8 DG H5' 2 8 DG H8 2.900 2.900 12.890 4.339 4.339 4.339 . 0 0 "[ ]" 4
544 2 8 DG H5'' 2 8 DG H8 2.900 2.900 12.890 2.870 2.870 2.870 0.030 1 0 "[ ]" 4
545 2 8 DG H2' 2 8 DG H5' 2.900 2.900 12.890 4.352 4.352 4.352 . 0 0 "[ ]" 4
546 2 8 DG H2'' 2 8 DG H5' 2.900 2.900 12.890 4.699 4.699 4.699 . 0 0 "[ ]" 4
547 2 8 DG H2' 2 8 DG H5'' 2.900 2.900 12.890 3.835 3.835 3.835 . 0 0 "[ ]" 4
548 2 8 DG H2'' 2 8 DG H5'' 2.900 2.900 12.890 4.658 4.658 4.658 . 0 0 "[ ]" 4
549 2 8 DG H8 2 9 DC H5 3.400 . 5.000 3.527 3.527 3.527 . 0 0 "[ ]" 4
550 2 8 DG H8 2 9 DC H6 3.400 . 5.000 4.127 4.127 4.127 . 0 0 "[ ]" 4
551 2 8 DG H1' 2 9 DC H6 3.400 . 5.000 5.176 5.176 5.176 0.176 1 0 "[ ]" 4
552 2 8 DG H2' 2 9 DC H6 3.400 . 5.000 2.421 2.421 2.421 . 0 0 "[ ]" 4
553 2 8 DG H2'' 2 9 DC H5 3.400 . 5.000 5.050 5.050 5.050 0.050 1 0 "[ ]" 4
554 2 8 DG H2'' 2 9 DC H6 3.400 . 5.000 3.430 3.430 3.430 . 0 0 "[ ]" 4
555 2 8 DG H3' 2 9 DC H6 2.400 . 3.000 3.167 3.167 3.167 0.167 1 0 "[ ]" 4
556 2 8 DG H8 2 9 DC H5' 2.900 2.900 12.890 7.705 7.705 7.705 . 0 0 "[ ]" 4
557 2 8 DG H8 2 9 DC H5'' 2.900 2.900 12.890 7.033 7.033 7.033 . 0 0 "[ ]" 4
558 2 8 DG H2' 2 9 DC H5' 2.900 2.900 12.890 5.477 5.477 5.477 . 0 0 "[ ]" 4
559 2 8 DG H2'' 2 9 DC H5' 2.900 2.900 12.890 4.813 4.813 4.813 . 0 0 "[ ]" 4
560 2 8 DG H2' 2 9 DC H5'' 2.900 2.900 12.890 4.891 4.891 4.891 . 0 0 "[ ]" 4
561 2 8 DG H2'' 2 9 DC H5'' 2.900 2.900 12.890 4.720 4.720 4.720 . 0 0 "[ ]" 4
562 2 8 DG H3' 2 9 DC P 3.020 2.800 3.250 2.678 2.678 2.678 0.122 1 0 "[ ]" 4
563 2 9 DC H5 2 9 DC H6 2.150 . 2.500 2.460 2.460 2.460 . 0 0 "[ ]" 4
564 2 9 DC H1' 2 9 DC H6 3.400 . 5.000 3.611 3.611 3.611 . 0 0 "[ ]" 4
565 2 9 DC H2' 2 9 DC H6 2.150 . 3.500 2.861 2.861 2.861 . 0 0 "[ ]" 4
566 2 9 DC H2'' 2 9 DC H6 3.500 3.150 3.850 4.137 4.137 4.137 0.287 1 0 "[ ]" 4
567 2 9 DC H3' 2 9 DC H6 3.400 . 5.000 4.285 4.285 4.285 . 0 0 "[ ]" 4
568 2 9 DC H1' 2 9 DC H2' 3.400 . 5.000 3.028 3.028 3.028 . 0 0 "[ ]" 4
569 2 9 DC H1' 2 9 DC H2'' 2.400 . 3.000 2.353 2.353 2.353 . 0 0 "[ ]" 4
570 2 9 DC H2' 2 9 DC H2'' 2.150 . 2.500 1.766 1.766 1.766 0.034 1 0 "[ ]" 4
571 2 9 DC H2' 2 9 DC H3' 3.400 . 5.000 2.343 2.343 2.343 . 0 0 "[ ]" 4
572 2 9 DC H2'' 2 9 DC H3' 3.400 . 5.000 2.752 2.752 2.752 . 0 0 "[ ]" 4
573 2 9 DC H5' 2 9 DC H6 2.900 2.900 12.890 4.768 4.768 4.768 . 0 0 "[ ]" 4
574 2 9 DC H5'' 2 9 DC H6 2.900 2.900 12.890 3.482 3.482 3.482 . 0 0 "[ ]" 4
575 2 9 DC H2' 2 9 DC H5' 2.900 2.900 12.890 4.472 4.472 4.472 . 0 0 "[ ]" 4
576 2 9 DC H2'' 2 9 DC H5' 2.900 2.900 12.890 5.084 5.084 5.084 . 0 0 "[ ]" 4
577 2 9 DC H2' 2 9 DC H5'' 2.900 2.900 12.890 3.194 3.194 3.194 . 0 0 "[ ]" 4
578 2 9 DC H2'' 2 9 DC H5'' 2.900 2.900 12.890 4.323 4.323 4.323 . 0 0 "[ ]" 4
579 2 9 DC H5 2 10 DT M7 3.400 . 5.500 3.127 3.127 3.127 . 0 0 "[ ]" 4
580 2 9 DC H6 2 10 DT M7 2.150 . 3.000 2.476 2.476 2.476 . 0 0 "[ ]" 4
581 2 9 DC H1' 2 10 DT M7 3.400 . 5.500 4.127 4.127 4.127 . 0 0 "[ ]" 4
582 2 9 DC H1' 2 10 DT H6 3.400 . 5.000 4.109 4.109 4.109 . 0 0 "[ ]" 4
583 2 9 DC H2' 2 10 DT H6 2.150 . 2.500 2.557 2.557 2.557 0.057 1 0 "[ ]" 4
584 2 9 DC H2'' 2 10 DT M7 2.150 . 3.000 3.017 3.017 3.017 0.017 1 0 "[ ]" 4
585 2 9 DC H2'' 2 10 DT H6 2.150 . 2.500 2.200 2.200 2.200 . 0 0 "[ ]" 4
586 2 9 DC H3' 2 10 DT M7 2.400 . 3.500 3.552 3.552 3.552 0.052 1 0 "[ ]" 4
587 2 9 DC H3' 2 10 DT H6 3.400 . 5.000 4.300 4.300 4.300 . 0 0 "[ ]" 4
588 2 9 DC H6 2 10 DT H5' 2.900 2.900 12.890 7.879 7.879 7.879 . 0 0 "[ ]" 4
589 2 9 DC H6 2 10 DT H5'' 2.900 2.900 12.890 7.989 7.989 7.989 . 0 0 "[ ]" 4
590 2 9 DC H2' 2 10 DT H5' 2.900 2.900 12.890 5.554 5.554 5.554 . 0 0 "[ ]" 4
591 2 9 DC H2'' 2 10 DT H5' 2.900 2.900 12.890 3.843 3.843 3.843 . 0 0 "[ ]" 4
592 2 9 DC H2' 2 10 DT H5'' 2.900 2.900 12.890 5.310 5.310 5.310 . 0 0 "[ ]" 4
593 2 9 DC H2'' 2 10 DT H5'' 2.900 2.900 12.890 3.873 3.873 3.873 . 0 0 "[ ]" 4
594 2 9 DC H3' 2 10 DT P 3.020 2.800 3.250 2.839 2.839 2.839 . 0 0 "[ ]" 4
595 2 10 DT H6 2 10 DT M7 2.150 . 3.000 2.192 2.192 2.192 . 0 0 "[ ]" 4
596 2 10 DT H3' 2 10 DT M7 2.150 . 4.000 4.235 4.235 4.235 0.235 1 0 "[ ]" 4
597 2 10 DT H1' 2 10 DT H6 3.400 . 5.000 3.651 3.651 3.651 . 0 0 "[ ]" 4
598 2 10 DT H2' 2 10 DT H6 2.150 . 3.500 2.824 2.824 2.824 . 0 0 "[ ]" 4
599 2 10 DT H2'' 2 10 DT H6 3.500 3.150 3.850 4.093 4.093 4.093 0.243 1 0 "[ ]" 4
600 2 10 DT H3' 2 10 DT H6 3.400 . 5.000 2.846 2.846 2.846 . 0 0 "[ ]" 4
601 2 10 DT H2' 2 10 DT H2'' 2.150 . 2.500 1.763 1.763 1.763 0.037 1 0 "[ ]" 4
602 2 10 DT H2' 2 10 DT H3' 3.400 . 5.000 2.295 2.295 2.295 . 0 0 "[ ]" 4
603 2 10 DT H2'' 2 10 DT H3' 3.400 . 5.000 2.962 2.962 2.962 . 0 0 "[ ]" 4
604 2 10 DT H5' 2 10 DT H6 3.800 3.800 13.790 4.667 4.667 4.667 . 0 0 "[ ]" 4
605 2 10 DT H5'' 2 10 DT H6 3.800 3.800 13.790 4.140 4.140 4.140 . 0 0 "[ ]" 4
606 2 10 DT H2' 2 10 DT H5' 3.300 3.300 13.290 5.293 5.293 5.293 . 0 0 "[ ]" 4
607 2 10 DT H2'' 2 10 DT H5' 3.300 3.300 13.290 5.070 5.070 5.070 . 0 0 "[ ]" 4
608 2 10 DT H2' 2 10 DT H5'' 3.300 3.300 13.290 4.469 4.469 4.469 . 0 0 "[ ]" 4
609 2 10 DT H2'' 2 10 DT H5'' 3.300 3.300 13.290 4.582 4.582 4.582 . 0 0 "[ ]" 4
610 2 10 DT H6 2 11 DA H8 3.400 . 5.000 4.734 4.734 4.734 . 0 0 "[ ]" 4
611 2 10 DT H2' 2 11 DA H8 2.400 . 3.000 3.071 3.071 3.071 0.071 1 0 "[ ]" 4
612 2 10 DT H2'' 2 11 DA H8 3.400 . 5.000 3.830 3.830 3.830 . 0 0 "[ ]" 4
613 2 10 DT H3' 2 11 DA H8 2.150 . 2.500 2.632 2.632 2.632 0.132 1 0 "[ ]" 4
614 2 10 DT H6 2 11 DA H5' 3.800 3.800 13.790 8.053 8.053 8.053 . 0 0 "[ ]" 4
615 2 10 DT H6 2 11 DA H5'' 3.800 3.800 13.790 8.156 8.156 8.156 . 0 0 "[ ]" 4
616 2 10 DT H2' 2 11 DA H5' 3.300 3.300 13.290 6.297 6.297 6.297 . 0 0 "[ ]" 4
617 2 10 DT H2'' 2 11 DA H5' 3.300 3.300 13.290 5.569 5.569 5.569 . 0 0 "[ ]" 4
618 2 10 DT H2' 2 11 DA H5'' 3.300 3.300 13.290 6.290 6.290 6.290 . 0 0 "[ ]" 4
619 2 10 DT H2'' 2 11 DA H5'' 3.300 3.300 13.290 5.943 5.943 5.943 . 0 0 "[ ]" 4
620 2 10 DT H3' 2 11 DA P 3.020 2.800 3.250 2.798 2.798 2.798 0.002 1 0 "[ ]" 4
621 2 11 DA H1' 2 11 DA H8 3.400 . 5.000 3.787 3.787 3.787 . 0 0 "[ ]" 4
622 2 11 DA H2' 2 11 DA H8 2.150 . 3.500 2.754 2.754 2.754 . 0 0 "[ ]" 4
623 2 11 DA H2'' 2 11 DA H8 3.500 3.150 3.850 4.114 4.114 4.114 0.264 1 0 "[ ]" 4
624 2 11 DA H3' 2 11 DA H8 3.400 . 5.000 4.491 4.491 4.491 . 0 0 "[ ]" 4
625 2 11 DA H4' 2 11 DA H8 2.150 . 4.500 4.650 4.650 4.650 0.150 1 0 "[ ]" 4
626 2 11 DA H1' 2 11 DA H2' 2.150 . 2.500 2.959 2.959 2.959 0.459 1 0 "[ ]" 4
627 2 11 DA H1' 2 11 DA H2'' 2.150 . 2.500 2.315 2.315 2.315 . 0 0 "[ ]" 4
628 2 11 DA H1' 2 11 DA H3' 3.400 . 5.000 3.762 3.762 3.762 . 0 0 "[ ]" 4
629 2 11 DA H1' 2 11 DA H4' 3.550 3.200 3.900 3.173 3.173 3.173 0.027 1 0 "[ ]" 4
630 2 11 DA H2' 2 11 DA H2'' 2.150 . 2.500 1.748 1.748 1.748 0.052 1 0 "[ ]" 4
631 2 11 DA H2' 2 11 DA H3' 2.150 . 2.500 2.377 2.377 2.377 . 0 0 "[ ]" 4
632 2 11 DA H2'' 2 11 DA H3' 2.150 . 2.500 2.682 2.682 2.682 0.182 1 0 "[ ]" 4
633 2 11 DA H5' 2 11 DA H8 3.800 3.800 13.790 4.686 4.686 4.686 . 0 0 "[ ]" 4
634 2 11 DA H5'' 2 11 DA H8 3.800 3.800 13.790 3.979 3.979 3.979 . 0 0 "[ ]" 4
635 2 11 DA H2' 2 11 DA H5' 3.300 3.300 13.290 4.476 4.476 4.476 . 0 0 "[ ]" 4
636 2 11 DA H2'' 2 11 DA H5' 3.300 3.300 13.290 5.282 5.282 5.282 . 0 0 "[ ]" 4
637 2 11 DA H2' 2 11 DA H5'' 3.300 3.300 13.290 3.210 3.210 3.210 0.090 1 0 "[ ]" 4
638 2 11 DA H2'' 2 11 DA H5'' 3.300 3.300 13.290 4.295 4.295 4.295 . 0 0 "[ ]" 4
639 2 11 DA H8 2 12 DG H8 3.400 . 5.000 5.018 5.018 5.018 0.018 1 0 "[ ]" 4
640 2 11 DA H1' 2 12 DG H8 3.400 . 5.000 5.077 5.077 5.077 0.077 1 0 "[ ]" 4
641 2 11 DA H2' 2 12 DG H8 3.400 . 5.000 2.683 2.683 2.683 . 0 0 "[ ]" 4
642 2 11 DA H2'' 2 12 DG H8 2.400 . 3.000 2.890 2.890 2.890 . 0 0 "[ ]" 4
643 2 11 DA H3' 2 12 DG H8 3.400 . 5.000 3.698 3.698 3.698 . 0 0 "[ ]" 4
644 2 11 DA H8 2 12 DG H5' 3.800 3.800 13.790 8.084 8.084 8.084 . 0 0 "[ ]" 4
645 2 11 DA H8 2 12 DG H5'' 3.800 3.800 13.790 7.302 7.302 7.302 . 0 0 "[ ]" 4
646 2 11 DA H2' 2 12 DG H5' 3.300 3.300 13.290 5.390 5.390 5.390 . 0 0 "[ ]" 4
647 2 11 DA H2'' 2 12 DG H5' 3.300 3.300 13.290 4.287 4.287 4.287 . 0 0 "[ ]" 4
648 2 11 DA H2' 2 12 DG H5'' 3.300 3.300 13.290 4.623 4.623 4.623 . 0 0 "[ ]" 4
649 2 11 DA H2'' 2 12 DG H5'' 3.300 3.300 13.290 4.086 4.086 4.086 . 0 0 "[ ]" 4
650 2 11 DA H3' 2 12 DG P 3.020 2.800 3.250 3.038 3.038 3.038 . 0 0 "[ ]" 4
651 2 12 DG H1' 2 12 DG H8 3.400 . 5.000 3.830 3.830 3.830 . 0 0 "[ ]" 4
652 2 12 DG H2' 2 12 DG H8 2.150 . 3.500 2.641 2.641 2.641 . 0 0 "[ ]" 4
653 2 12 DG H2'' 2 12 DG H8 3.500 3.150 3.850 4.011 4.011 4.011 0.161 1 0 "[ ]" 4
654 2 12 DG H3' 2 12 DG H8 2.150 . 2.500 2.194 2.194 2.194 . 0 0 "[ ]" 4
655 2 12 DG H4' 2 12 DG H8 2.150 . 4.500 4.523 4.523 4.523 0.023 1 0 "[ ]" 4
656 2 12 DG H1' 2 12 DG H2' 2.150 . 2.500 2.737 2.737 2.737 0.237 1 0 "[ ]" 4
657 2 12 DG H1' 2 12 DG H2'' 2.400 . 3.000 2.265 2.265 2.265 . 0 0 "[ ]" 4
658 2 12 DG H1' 2 12 DG H3' 2.150 . 3.500 3.806 3.806 3.806 0.306 1 0 "[ ]" 4
659 2 12 DG H1' 2 12 DG H4' 3.550 3.200 3.900 3.386 3.386 3.386 . 0 0 "[ ]" 4
660 2 12 DG H2' 2 12 DG H2'' 2.150 . 2.500 1.763 1.763 1.763 0.037 1 0 "[ ]" 4
661 2 12 DG H2' 2 12 DG H3' 2.150 . 2.500 2.298 2.298 2.298 . 0 0 "[ ]" 4
662 2 12 DG H2'' 2 12 DG H3' 3.400 . 5.000 2.978 2.978 2.978 . 0 0 "[ ]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 32
_Distance_constraint_stats_list.Viol_count 24
_Distance_constraint_stats_list.Viol_total 1.385
_Distance_constraint_stats_list.Viol_max 0.184
_Distance_constraint_stats_list.Viol_rms 0.0610
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0433
_Distance_constraint_stats_list.Viol_average_violations_only 0.0577
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DC 0.012 0.009 1 0 "[ ]"
1 2 DT 0.016 0.016 1 0 "[ ]"
1 3 DA 0.168 0.149 1 0 "[ ]"
1 4 DG 0.034 0.023 1 0 "[ ]"
1 5 DC 0.277 0.184 1 0 "[ ]"
1 6 DG 0.187 0.135 1 0 "[ ]"
1 7 DC 0.190 0.139 1 0 "[ ]"
1 8 DG 0.273 0.180 1 0 "[ ]"
1 9 DC 0.032 0.016 1 0 "[ ]"
1 10 DT 0.167 0.150 1 0 "[ ]"
1 11 DA 0.017 0.017 1 0 "[ ]"
1 12 DG 0.012 0.007 1 0 "[ ]"
2 1 DC 0.012 0.007 1 0 "[ ]"
2 2 DT 0.017 0.017 1 0 "[ ]"
2 3 DA 0.167 0.150 1 0 "[ ]"
2 4 DG 0.032 0.016 1 0 "[ ]"
2 5 DC 0.273 0.180 1 0 "[ ]"
2 6 DG 0.190 0.139 1 0 "[ ]"
2 7 DC 0.187 0.135 1 0 "[ ]"
2 8 DG 0.277 0.184 1 0 "[ ]"
2 9 DC 0.034 0.023 1 0 "[ ]"
2 10 DT 0.168 0.149 1 0 "[ ]"
2 11 DA 0.016 0.016 1 0 "[ ]"
2 12 DG 0.012 0.009 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DC N3 2 12 DG N1 2.950 2.850 3.050 2.936 2.936 2.936 . 0 0 "[ ]" 5
2 1 1 DC N4 2 12 DG O6 2.910 2.810 3.010 3.019 3.019 3.019 0.009 1 0 "[ ]" 5
3 1 1 DC O2 2 12 DG N2 2.860 2.760 2.960 2.758 2.758 2.758 0.002 1 0 "[ ]" 5
4 1 2 DT N3 2 11 DA N1 2.820 2.720 2.920 2.845 2.845 2.845 . 0 0 "[ ]" 5
5 1 2 DT O4 2 11 DA N6 2.950 2.850 3.050 3.066 3.066 3.066 0.016 1 0 "[ ]" 5
6 1 3 DA N1 2 10 DT N3 2.820 2.720 2.920 2.701 2.701 2.701 0.019 1 0 "[ ]" 5
7 1 3 DA N6 2 10 DT O4 2.950 2.850 3.050 3.199 3.199 3.199 0.149 1 0 "[ ]" 5
8 1 4 DG N1 2 9 DC N3 2.950 2.850 3.050 3.058 3.058 3.058 0.008 1 0 "[ ]" 5
9 1 4 DG O6 2 9 DC N4 2.910 2.810 3.010 3.033 3.033 3.033 0.023 1 0 "[ ]" 5
10 1 4 DG N2 2 9 DC O2 2.860 2.760 2.960 2.964 2.964 2.964 0.004 1 0 "[ ]" 5
11 1 5 DC N3 2 8 DG N1 2.950 2.850 3.050 2.890 2.890 2.890 . 0 0 "[ ]" 5
12 1 5 DC N4 2 8 DG O6 2.910 2.810 3.010 3.103 3.103 3.103 0.093 1 0 "[ ]" 5
13 1 5 DC O2 2 8 DG N2 2.860 2.760 2.960 2.576 2.576 2.576 0.184 1 0 "[ ]" 5
14 1 6 DG N1 2 7 DC N3 2.950 2.850 3.050 2.872 2.872 2.872 . 0 0 "[ ]" 5
15 1 6 DG O6 2 7 DC N4 2.910 2.810 3.010 3.061 3.061 3.061 0.051 1 0 "[ ]" 5
16 1 6 DG N2 2 7 DC O2 2.860 2.760 2.960 2.625 2.625 2.625 0.135 1 0 "[ ]" 5
17 1 7 DC N3 2 6 DG N1 2.950 2.850 3.050 2.870 2.870 2.870 . 0 0 "[ ]" 5
18 1 7 DC N4 2 6 DG O6 2.910 2.810 3.010 3.061 3.061 3.061 0.051 1 0 "[ ]" 5
19 1 7 DC O2 2 6 DG N2 2.860 2.760 2.960 2.621 2.621 2.621 0.139 1 0 "[ ]" 5
20 1 8 DG N1 2 5 DC N3 2.950 2.850 3.050 2.894 2.894 2.894 . 0 0 "[ ]" 5
21 1 8 DG O6 2 5 DC N4 2.910 2.810 3.010 3.104 3.104 3.104 0.094 1 0 "[ ]" 5
22 1 8 DG N2 2 5 DC O2 2.860 2.760 2.960 2.580 2.580 2.580 0.180 1 0 "[ ]" 5
23 1 9 DC N3 2 4 DG N1 2.950 2.850 3.050 3.057 3.057 3.057 0.007 1 0 "[ ]" 5
24 1 9 DC N4 2 4 DG O6 2.910 2.810 3.010 3.020 3.020 3.020 0.010 1 0 "[ ]" 5
25 1 9 DC O2 2 4 DG N2 2.860 2.760 2.960 2.976 2.976 2.976 0.016 1 0 "[ ]" 5
26 1 10 DT N3 2 3 DA N1 2.820 2.720 2.920 2.703 2.703 2.703 0.017 1 0 "[ ]" 5
27 1 10 DT O4 2 3 DA N6 2.950 2.850 3.050 3.200 3.200 3.200 0.150 1 0 "[ ]" 5
28 1 11 DA N1 2 2 DT N3 2.820 2.720 2.920 2.847 2.847 2.847 . 0 0 "[ ]" 5
29 1 11 DA N6 2 2 DT O4 2.950 2.850 3.050 3.067 3.067 3.067 0.017 1 0 "[ ]" 5
30 1 12 DG N1 2 1 DC N3 2.950 2.850 3.050 2.932 2.932 2.932 . 0 0 "[ ]" 5
31 1 12 DG O6 2 1 DC N4 2.910 2.810 3.010 3.015 3.015 3.015 0.005 1 0 "[ ]" 5
32 1 12 DG N2 2 1 DC O2 2.860 2.760 2.960 2.753 2.753 2.753 0.007 1 0 "[ ]" 5
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